[ CAS No. 16298-03-6 ] {[proInfo.proName]}

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Quality Control of [ 16298-03-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 16298-03-6 ]

SDS Specification

Alternatived Products of [ 16298-03-6 ]

Product Details of [ 16298-03-6 ]

CAS No. :	16298-03-6	MDL No. :	MFCD00010097
Formula :	C₆H₇N₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	INCSQLZZXBPATR-UHFFFAOYSA-N
M.W :	153.14	Pubchem ID :	72669
Synonyms :		Chemical Name :	Methyl 2-aminopyrazine-3-carboxylate

Calculated chemistry of [ 16298-03-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	37.72
TPSA :	78.1 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.2
Log Po/w (XLOGP3) :	0.0
Log Po/w (WLOGP) :	-0.15
Log Po/w (MLOGP) :	-1.03
Log Po/w (SILICOS-IT) :	0.02
Consensus Log Po/w :	0.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.06
Solubility :	13.3 mg/ml ; 0.0869 mol/l
Class :	Very soluble
Log S (Ali) :	-1.19
Solubility :	9.86 mg/ml ; 0.0644 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.35
Solubility :	6.78 mg/ml ; 0.0443 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.83

Safety of [ 16298-03-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 16298-03-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 16298-03-6 ]
Downstream synthetic route of [ 16298-03-6 ]

[ 16298-03-6 ] Synthesis Path-Upstream 1~2

1
[ 16298-03-6 ]
[ 173290-17-0 ]

Yield	Reaction Conditions	Operation in experiment
44%	With diiodomethane; isopentyl nitrite In diiodomethane at 85 - 100℃; for 15 h;	Reference Example 15 3-Iodopyrazine-2-carboxylic acid methyl ester (Reference compound No.15-1) Isoamyl nitrite (5.2 mL, 39 mmol) was added to a suspension of 3-aminopyrazine-2-carboxylic acid methyl ester (1.9 g, 12 mmol) in diiodomethane (20 mL) at 85°C, then the mixture was stirred at 100°C for 15 hours. The reaction mixture was allowed to stand and purified by silica gel column chromatography to give 1.4 g of the title reference compound as a pale yellow solid. (Yield 44percent) ¹H-NMR(500MHz,CDCl₃) δ 4.04(s,3H),8.47(d,J = 2.1 Hz,1H),8.56(d,J = 2.1 Hz,1H)

Reference： [1] Patent: EP1602647, 2005, A1, . Location in patent: Page/Page column 58
[2] Patent: WO2018/118670, 2018, A1, . Location in patent: Page/Page column 180; 181

2
[ 16298-03-6 ]
[ 1232410-49-9 ]

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 7, p. 2320 - 2330

[ 16298-03-6 ] Synthesis Path-Downstream 1~3

1
[ 16298-03-6 ]
[ 51171-02-9 ]

Yield	Reaction Conditions	Operation in experiment
63%	With hydrogen bromide; bromine; sodium nitrite; In water; at 0℃; for 0.25h;	Bromine (3.91 g, 24.46 mmol) was added dropwise to a stirred mixture of 3- aminopyrazine-2-carboxylic acid methyl ester (1.27 g, 8.29 mmol) and hydrobromic acid (4.70 mL, 41.5 mmol) at 00C. A solution of sodium nitrite (1.44 g, 20.9 mmol) in water (6 mL) was then added dropwise. The reaction mixture was stirred for 15 min, brought to pH 8 with NaHCO3 (saturated, aqueous), and extracted with ethyl acetate (80 mL) and chloroform (50 mL). The combined organics were dried over MgSO4 and concentrated in vacuoto give 1.13 g (63%) of an orange oil which solidified on standing.
63%	With hydrogen bromide; bromine; sodium nitrite; In water; at 0℃; for 0.25h;	Bromine (3.91 g, 24.46 mmol) was added dropwise to a stirred mixture of 3- aminopyrazine-2-carboxylic acid methyl ester (1.27 g, 8.29 mmol) and hydrobromic acid (4.70 mL, 41.5 mmol) at 00C. A solution of sodium nitrite (1.44 g, 20.9 mmol) in water (6 mL) was then added dropwise. The reaction mixture was stirred for 15 min, brought to pH 8 with NaHCO3 (saturated, aqueous), and extracted with ethyl acetate (80 mL) and chloroform (50 mL). The <n="47"/>combined organics were dried over MgSO4 and concentrated in vacuo to give 1.13 g (63%) of an orange oil which solidified on standing. LC-MS m/z 217 (M+H+); RT 1.15 mm.
63%	With hydrogen bromide; bromine; sodium nitrite; In water; at 0℃; for 0.25h;	Bromine (3.91 g, 24.46 mmol) was added dropwise to a stirred mixture of 3- aminopyrazine-2-carboxylic acid methyl ester (1.27 g, 8.29 mmol) and hydrobromic acid (4.70 mL, 41.5 mmol) at 00C. A solution of sodium nitrite (1.44 g, 20.9 mmol) in water (6 mL) was then added dropwise. The reaction mixture was stirred for 15 min, brought to pH 8 with NaHCO3 (saturated, aqueous), and extracted with ethyl acetate (80 mL) and chloroform (50 mL). The combined organics were dried over MgSO4 and concentrated in vacuoto give 1.13 g (63%) of an orange oil which solidified on standing.

46%	With bromine; sodium nitrite; In chloroform; water; hydrogen bromide;	EXAMPLE 157A Methyl 3-bromopyrazine-2-carboxylate To a rapidly stirring heterogeneous mixture of 3-aminopyrazine-2-carboxylic acid methyl ester (2.00 g, 13.1 mmol) in 48% hydrobromic acid (7.9 mL) cooled to 0 C. was added bromine (2.00 mL, 6.2 g, 38.8 mmol) dropwise over 5 minutes. Then a solution of sodium nitrite (2.27 g, 32.8 mmol) in 9.5 mL of water was added dropwise over 10 minutes. The reaction mixture was stirred at 0 C. for 15-30 minutes and then basified with 60 mL of saturated sodium bicarbonate solution and extracted with ethyl acetate followed by chloroform. The combined organic extracts were dried over magnesium sulfate and concentrated under reduced pressure. The residue obtained was flash chromatographed on silica gel eluding with mixtures of hexane and ethyl acetate to afford the title compound (1.265 g, 46%). m.p. 43.5-44 C. 1 H NMR (CDCl3, 300 MHz) delta 4.04 (s, 3H), 8.50 (bs, 1H), 8.60 (bs, 1H). MS (DCl/NH3) m/e 217/219 (M+H)+, 234/236 (M+H+NH3)+.
12%	With tert.-butylnitrite; copper(I) bromide; In acetonitrile; at 60℃; for 0.25h;	Example 81; Synthesis of (3,5-bis-trifluoromethyl-benzyl)- [3-(cycIopentylmethyl-ethyl-amino)- pyrazin-2-ylmethyl]-carbamic acid methyl ester; Step (i): Synthesis of 3-bromo-pyrazine-2-carboxylic acid methyl ester; Copper bromide (1.36 g, 6.1 mmol) and ￡-butyl nitrite (0.78 g, 7.6 mmol) were added to a 50 mL round bottom flask along with acetonitrile (2 niL), and this mixture was heated at 60 0C for 5 min. After this time, 3-amino-pyrazine-2-carboxylic acid methyl ester (0.8 g, 5.09 mmol) was added portion- wise, with stirring, and stirring was continued at the same temperature for another 10 min. The reaction mixture was then cooled to RT, poured into 100 mL of dilute HCL (2N), and then extracted with diethyl ether (3 x 50 mL). The combined organic layer was washed with dilute HCl, dried over sodium sulfate, and then concentrated under vacuum to afford the title compound (0.139 g), yield: 12 %.1H NMR (CDCl3, 400 MHz): d 8.58 (m, 2H), 4.04 (s, 3H)) ; m/z (CI-MS) 217 (M+) ; IR (neat, cm-1): 3385, 2955, 1742
	With hydrogen bromide; bromine; sodium nitrite; In water;	(A) Methyl 2-bromo-3-pyrazine carboxylate To a stirred mixture of 12.7 g. of methyl 2-amino pyrazine carboxylate and 47 ml. of 48% hydrobromic acid there was added, dropwise, 12.6 ml. of bromine keeping the temperature at 0. A solution of 14.4 g. of sodium nitrite in 60 ml. of water was then added, dropwise, at 0 and the reaction mixture stirred for 15 minutes. The reaction mixture was basified to pH 8 with sodium bicarbonate and extracted with ethyl acetate and again with chloroform. The organic layers were dried over magnesium sulfate, filtered and concentrated to a yellow oil. Recrystallization from ether-hexane yielded the product, m.p. 43-45 C.
	With hydrogen bromide; bromine; sodium nitrite; In water;	(A) Methyl 2-bromo-3-pyrazine carboxylate: To a stirred mixture of 12.7 g. of methyl 2-amino pyrazine carboxylate and 47 ml. of 48% hydrobromic acid there was added, dropwise, 12.6 ml. of bromine keeping the temperature at 0. A solution of 14.4 g. of sodium nitrite in 60 ml. of water was then added, dropwise, at 0 and the reaction mixture stirred for 15 minutes. The reaction mixture was basified to pH 8 with sodium bicarbonate and extracted with ethyl acetate and again with chloroform. The organic layers were dried over magnesium sulfate, filtered and concentrated to a yellow oil. Recrystallization from ether-hexane yielded the product, m.p. 43-45 C.
	With hydrogen bromide; bromine; sodium nitrite; In water;	(A) Methyl 2-bromo-3-pyrazine carboxylate To a stirred mixture of 12.7 g. of methyl 2-amino pyrazine 3-carboxylate and 47 ml. of 48% hydrobromic acid there is added, dropwise, 12.6 ml. of bromine keeping the temperature at 0. A solution of 14.4 g. of sodium nitrite in 60 ml. of water is then added, dropwise, at 0 and the reaction mixture stirred for 15 minutes. The reaction mixture is basified to pH 8 with sodium bicarbonate and extracted with ethyl acetate and again with chloroform. The organic layers are dried over magnesium sulfate, filtered and concentrated to a yellow oil. Recrystallization from ether-hexane yields the product, m.p. 43-45 C.
	With hydrogen bromide; bromine; sodium nitrite; In water;	(A) Methyl 2-bromo-3-pyrazine carboxylate: To a stirred mixture of 12.7 g. of methyl 2-aminopyrazine 3-carboxylate and 47 ml. of 48% hydrobromic acid there is added, dropwise, 12.6 ml. of bromine keeping the temperature at 0. A solution of 14.4 g. of sodium nitrite in 60 ml. of water is then added, dropwise, at 0 and the reaction mixture stirred for 15 minutes. The reaction mixture is basified to pH 8 with sodium bicarbonate and extracted with ethyl acetate and again with chloroform. The organic layers are dried over magnesium sulfate, filtered and concentrated to a yellow oil. Recrystallization from ether-hexane yields the product, m.p. 43-45 C.
	With hydrogen bromide; bromine; sodium nitrite; In water; at 0℃; for 2h;	Step 1: synthesis of methyl 3-bromopyrazine-2-carboxylate (99)To a solution of methyl 3-amino-2-pyrazinecarboxylate (13.06 mmol, 2 g) in hydrobromic acid (13.06 mmol, 7.4 ml, 1.057 g) at 0C was added bromine (38.9 mmol, 2 mL, 6.22 g) drop wise and then a solution of sodium nitrite (33.3 mmol, 2.3 g) in water (4 mL). The reaction was stirred for 2h at 0C and the reaction mixture was extracted with CH2CI2. Organic layer was dried and evaporated to give crude methyl 3- bromopyrazine-2-carboxylate 101 (1.2gr, 43%). (m/z) = 217 and 219 (M+H)+.
	With hydrogen bromide; bromine; sodium nitrite; In water; at 0℃; for 2h;	Step 1: synthesis of methyl 3-bromopyrazine-2-carboxylate (99)[0305]To a solution of methyl 3-amino-2-pyrazinecarboxylate (13.06 mmol, 2 g) in hydrobromic acid (13.06 mmol, 7.4 ml, 1.057 g) at 0 C. was added bromine (38.9 mmol, 2 mL, 6.22 g) drop wise and then a solution of sodium nitrite (33.3 mmol, 2.3 g) in water (4 mL). The reaction was stirred for 2 h at 0 C. and the reaction mixture was extracted with CH2Cl2. Organic layer was dried and evaporated to give crude methyl 3-bromopyrazine-2-carboxylate 101 (1.2 gr, 43%). (m/z)=217 and 219 (M+H)+.

Reference： [1]Patent: WO2006/91506,2006,A2 .Location in patent: Page/Page column 47
[2]Patent: WO2006/49681,2006,A2 .Location in patent: Page/Page column 45-46
[3]Patent: WO2006/121588,2006,A2 .Location in patent: Page/Page column 51
[4]Patent: US5250548,1993,A
[5]Journal of Medicinal Chemistry,2012,vol. 55,p. 10475 - 10489
[6]Patent: WO2006/73973,2006,A2 .Location in patent: Page/Page column 261
[7]Journal of the American Chemical Society,1949,vol. 71,p. 2798
[8]Patent: US4632923,1986,A
[9]Patent: US4680297,1987,A
[10]Patent: US4492702,1985,A
[11]Patent: US4551463,1985,A
[12]Patent: WO2011/147764,2011,A1 .Location in patent: Page/Page column 94
[13]Patent: US2013/79341,2013,A1 .Location in patent: Paragraph 0305

2
[ 16298-03-6 ]
[ 6761-52-0 ]

Yield	Reaction Conditions	Operation in experiment
97%	With hydrazine hydrate; In ethanol; at 60℃; for 2h;Inert atmosphere;	Hydrazine monohydrate (34 mL, 1094.95 mmol) was added portionwise to a stirred suspension of methyl 3-aminopyrazine-2-carboxylate (21.3 g, 139.09 mmol) in ethanol (65 mL) at r.t. The resulting slurry was stirred at 60 C. for 2 hours, cooled to room temperature and filtered. The solid was washed with cold ethanol (2*25 ml) and dried to a constant weight to afford 3-aminopyrazine-2-carbohydrazide (20.75 g, 97%) as a beige solid: 1H NMR Spectrum; (DMSO-d6) 4.49 (2H, d), 7.46 (2H, br s,), 7.78 (1H, d), 8.17 (1H, d), 9.79 (1H, t); Mass Spectrum [M+H]+=154.
97%	With hydrazine hydrate; In ethanol; at 20 - 60℃; for 2h;	Hydrazine monohydrate (34 mL, 1094.95 mmol) was added portionwise to a stirred suspension of methyl 3-aminopyrazine-2-carboxylate (21.3 g, 139.09 mmol) in ethanol (65 mL) at r.t. The resulting slurry was stirred at 60 C for 2 hours, cooled to room temperature and filtered. The solid was washed with cold ethanol (2 x 25 ml) and dried to a constant weight to afford 3-aminopyrazine-2-carbohydrazide (20.75 g, 97 %) as a beige solid: 1H NMR Spectrum: (DMSO-d6) 4.49 (2H, d), 7.46 (2H, br s,), 7.78 (IH, d), 8.17 (IH, d), 9.79 (IH, t); Mass Spectrum [M+H]+ = 154.
97%	With hydrazine hydrate; In ethanol; at 20 - 60℃; for 2h;Inert atmosphere;	Hydrazine hydrate (34 mL, 1.1 mol) was added portionwise to a stirred suspension of methyl 3-aminopyrazine-2-carboxylate 37 (21.3 g, 139 mmol) in ethanol (65 mL) at room temperature. The resulting slurry was stirred at 60 C for 2 h, cooled to room temperature, and filtered. The solid was washed with cold ethanol (2 x 25 mL) and dried to a constant weight to afford 3-aminopyrazine-2-carbohydrazide (20.75 g, 97%) as a beige solid. TBTU (5.77 g, 18.0 mmol) was added portionwise over 15 min to a stirred suspension of DIPEA (8.5 mL, 49 mmol), 1-methylcyclopropanecarboxylic acid (1.63 g, 16.3 mmol) and 3-aminopyrazine-2-carbohydrazide (2.50 g, 16.3 mmol) in acetonitrile (40 mL). The mixture was stirred at 80 C for 20 min, and then cooled to 0 C. DIPEA (8.5 mL, 49 mmol) followed by 4-methylbenzene-1-sulfonylchloride (9.34 g, 49 mmol) were added over a period of 15 min. The reaction mixture was brought to reflux and allowed to stir at room temperature for 14 h. The mixture was concentrated, and the residue was diluted with DCM, washed with water and brine, dried over magnesium sulfate and concentrated. The crude product was purified by flash chromatography on silica gel eluting with 0 to 40% ethyl acetate in dichloromethane. After evaporation of the solvent, the resulting solid was triturated with diethyl ether, filtered, washed with the minimum of diethyl ether and dried to afford 3-(5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (2.12 g, 60%). NBS (1.87 g, 10.5 mmol) was added portionwise to a solution of 3-(5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (2.08 g, 9.6 mmol) in THF (30 mL). The reaction mixture was stirred at room temperature for 16 h and concentrated. The residue was dissolved in dichloromethane (150 mL), washed with water (2 x 40 mL), brine, dried over magnesium sulfate and concentrated. After evaporation of the solvents, the crude product was purified by flash chromatography on silica gel eluting with 0 to 10% ethyl acetate in dichloromethane. The solvent was evaporated to dryness to afford 5-bromo-3-(5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (2.50 g, 88%) as a yellow solid. Bis(triphenylphosphine)palladium(II) chloride (59 mg, 0.08 mmol) was added in one portion to a stirred solution of 5-bromo-3-(5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (500 mg, 1.69 mmol) and hexamethyldistannane (0.49 mL, 2.4 mmol) dissolved in dioxane (8 mL) under argon. The resulting suspension was stirred at 80 C for 1 h. The mixture was evaporated. The crude product was purified by flash chromatography on silica gel eluting with 10 to 30% ethyl acetate in dichloromethane. The solvent was evaporated to dryness to afford 3-(5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl)-5-(trimethylstannyl)pyrazin-2-amine 38a (314 mg, 49%) as a yellow crystalline solid.

Reference： [1]Patent: US2014/206700,2014,A1 .Location in patent: Paragraph 0542; 0550
[2]Patent: WO2014/114928,2014,A1 .Location in patent: Page/Page column 103; 106
[3]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 5155 - 5162
[4]Journal of Heterocyclic Chemistry,2012,vol. 49,p. 845 - 850
[5]Journal of the Chemical Society,1951,p. 474,478
Journal of the Chemical Society,1952,p. 4219,4224

3
[ 16298-03-6 ]
[ 13457-28-8 ]

Reference： [1]Patent: CN108101857,2018,A

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Technical Information

? Acyl Group Substitution ? Bouveault-Blanc Reduction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Catalytic Hydrogenation ? Chan-Lam Coupling Reaction ? Complex Metal Hydride Reductions ? Ester Cleavage ? Hydride Reductions ? Leuckart-Wallach Reaction ? Mannich Reaction ? Petasis Reaction ? Preparation of Amines ? Reactions of Amines ? Reactions with Organometallic Reagents ? Specialized Acylation Reagents-Carbodiimides and Related Reagents ? Specialized Acylation Reagents-Vilsmeier Reagent ? Ugi Reaction

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P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 16298-03-6 ] {[proInfo.proName]}

Quality Control of [ 16298-03-6 ]

Related Doc. of [ 16298-03-6 ]

Product Details of [ 16298-03-6 ]

Calculated chemistry of [ 16298-03-6 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 16298-03-6 ]

Application In Synthesis of [ 16298-03-6 ]

[ 16298-03-6 ] Synthesis Path-Upstream 1~2

[ 16298-03-6 ] Synthesis Path-Downstream 1~3

Technical Information

Related Functional Groups of [ 16298-03-6 ]

Esters

Amines

Related Parent Nucleus of [ 16298-03-6 ]

Pyrazines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 16298-03-6 ]

Related Parent Nucleus of
[ 16298-03-6 ]