[ CAS No. 5029-67-4 ] {[proInfo.proName]}

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Quality Control of [ 5029-67-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 5029-67-4 ]

Product Citations

Chromophore Optimization in Organometallic Au(III) Cys Arylation of Peptides and Proteins for 266 nm Photoactivation

Jacob Silzel ; Chengwei Chen ; Colomba Sanchez-Marsetti , et al. ChemRxiv,2024. DOI: 10.26434/chemrxiv-2024-bthcz

Abstract: Cysteine is the most reactive naturally occurring amino acid due to the presence of a free thiol, presenting a tantalizing handle for covalent modification of peptides/proteins. Although many mass spectrometry experiments could benefit from site-specific modification of Cys, the utility of direct arylation has not been thoroughly explored. Recently, Spokoyny and coworkers reported a Au(III) organometallic reagent that robustly arylates Cys and tolerates a wide variety of solvents and conditions. Given the chromophoric nature of aryl groups and the known susceptibility of carbon-sulfur bonds to photodissociation, we set out to identify an aryl group that could efficiently cleave Cys carbon-sulfur bonds at 266 nm. A streamlined workflow was developed to facilitate rapid examination of a large number of aryls with minimal sample using a simple test peptide, RAAACGVLK. We were able to identify several aryl groups that yield abundant homolytic photodissociation of the adjacent Cys carbon-sulfur bonds with short activation times (<10 ms). In addition, we characterized the radical products created by photodissociation by subjecting the product ions to further collisional activation. Finally, we tested Cys arylation with human hemoglobin, identified reaction conditions that facilitate efficient modification of intact proteins, and evaluated the photochemistry and activation of these large radical ions.

Keywords: Fragmentation ; photodissociation ; radical-directed dissociation ; cysteine modification

Purchased from AmBeed: 15854-87-2 ; 615-43-0 ; 5029-67-4 ; 1120-90-7 ; 540-37-4

Product Details of [ 5029-67-4 ]

CAS No. :	5029-67-4	MDL No. :	MFCD00464928
Formula :	C₅H₄IN	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	CCZWSTFVHJPCEM-UHFFFAOYSA-N
M.W :	205.00	Pubchem ID :	221126
Synonyms :

Calculated chemistry of [ 5029-67-4 ] Expand+

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	36.95
TPSA :	12.89 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.61
Log Po/w (XLOGP3) :	1.4
Log Po/w (WLOGP) :	1.69
Log Po/w (MLOGP) :	1.41
Log Po/w (SILICOS-IT) :	2.47
Consensus Log Po/w :	1.72

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.63
Solubility :	0.484 mg/ml ; 0.00236 mol/l
Class :	Soluble
Log S (Ali) :	-1.27
Solubility :	10.9 mg/ml ; 0.0531 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.98
Solubility :	0.215 mg/ml ; 0.00105 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.24

Safety of [ 5029-67-4 ]

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

Application In Synthesis of [ 5029-67-4 ]

* 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 [ 5029-67-4 ]
Downstream synthetic route of [ 5029-67-4 ]

[ 5029-67-4 ] Synthesis Path-Upstream 1~1

1
[ 5029-67-4 ]
[ 927-74-2 ]
[ 395652-44-5 ]

Yield	Reaction Conditions	Operation in experiment
67%	With potassium phosphate In water; isopropyl alcohol at 80℃; for 20 h; Sealed tube	General procedure: In a sealed tube, aryl iodide (1 mmol, 1 equiv.), K3PO4(2 mmol,2 equiv.), catalyst (2 molpercent Pd) were suspended in i-PrOH (3 mL)and H2O (3 mL). The acetylene derivative (1.2 mmol, 1.2 equiv.)was added and the resulting mixture was stirred at 80C for 20 h.After cooling to room temperature, EtOAc (20 mL) and H2O (20 mL)were added and the mixture was filtered over a pad of Celite?.The aqueous layer was extracted twice with EtOAc (2 × 20 mL). Thecollected organics extracts were washed by brine (60 mL), driedon MgSO4, filtered and concentrated under reduced pressure. Thecrude product was purified by flash chromatography.

Reference： [1] Applied Catalysis A: General, 2014, vol. 482, p. 157 - 162

[ 5029-67-4 ] Synthesis Path-Downstream 1~8

1
[ 5029-67-4 ]
[ 108-95-2 ]
[ 51035-40-6 ]
[ 33421-36-2 ]
[ 98061-22-4 ]

Reference： [1]Chemical and pharmaceutical bulletin,1985,vol. 33,p. 1009 - 1015

2
[ 5029-67-4 ]
[ 182482-25-3 ]
2-(2,4,6-trifluorophenyl)pyridine [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2011,p. 3985 - 3994
[2]Tetrahedron Letters,2003,vol. 44,p. 1503 - 1506

3
[ 5029-67-4 ]
[ 955368-90-8 ]
[ 955369-47-8 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; N,N`-dimethylethylenediamine;copper(l) iodide; at 95℃;	1) Production of 2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one 2.4 mL of N,N'-dimethylethylenediamine was added to 1,4-dioxane (50 mL) solution of 4.44 g of <strong>[955368-90-8]2-allyl-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one</strong>, 3.80 g of copper(I) iodide, 5.33 g of 2-iodopyridine and 3.80 g of potassium carbonate, and stirred overnight at 95 C. The reaction liquid was cooled, aqueous ammonia was added thereto and extracted with ethyl acetate, washed with saturated saline water and dried with anhydrous magnesium sulfate. The solvent was evaporated away under reduced pressure, and crystallized with ethyl acetate to obtain 5.15 g of the entitled compound as a white solid. 1H-NMR (400 MHz, CDCl3) delta: 8.94 (1H, s), 8.52 (1H, d, J=5.1 Hz), 7.90 (2H, d, J=3.5 Hz), 7.29-7.25 (1H, m), 5.68 (1H, ddt, J=17.0, 10.2, 6.3 Hz), 5.05 (1H, d, J=10.2 Hz), 4.91 (1H, d, J=17.0 Hz), 4.85 (1H, d, J=6.3 Hz), 2.58 (3H, s). ESI-MS Found: m/z[M+H]+ 300.
	With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 95℃;	Reference Example 1 :Production of 2-allyl-6-fmethylthio)-l-pyridin-2-yl-3H-pyrazolo[3,4-d1pyrimidin-3-one2.4 mL of N,N'-dimethyl ethyl enediamine was added to 1,4-dioxane (50 mL) solution of 4.44 g of 2-allyl-6-(methylthio)-l,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, 3,80 <n="30"/>g of copper(I) iodide, 5.33 g of 2-iodopyridine and 3.8O g of potassium carbonate, and stirred overnight at 95C. The reaction liquid was cooled, aqueous ammonia was added thereto and extracted with ethyl acetate, washed with saturated saline water and dried with anhydrous magnesium sulfate. The solvent was evaporated away under reduced pressure, and crystallized with ethyl acetate to obtain 5.15 g of the entitled compound as a white solid. 1 H-NMR (400 MHz, CDCI3) delta: 8.94 (IH, s), 8.52 (IH, d, J=5.1 Hz), 7.90 (2H, d, J=3.5 Hz),7.29-7.25 (IH, m), 5.68 (IH, ddt, J=I 7.0, 10.2, 6.3 Hz), 5.05 (IH, d, J=10.2 Hz), 4.91 (IH, d, J=I 7.0 Hz), 4.85 (IH, d, J=6.3 Hz), 2.58 (3H, s). ESI-MS Found: m/z[M+H]+ 300.
	With potassium carbonate;copper(l) iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 95℃;	1) Production of 2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one: N,N'-dimethylethylenediamine (2.4 mL) was added to a 1,4-dioxane (50 mL) solution of <strong>[955368-90-8]2-allyl-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one</strong> (4.44 g), copper(I) iodide (3.80 g), 2-iodopyridine (5.33 g) and potassium carbonate (3.80 g), and stirred overnight at 95C. The reaction liquid was cooled, then aqueous ammonia was added thereto and extracted with ethyl acetate, washed with saturated saline water, and dried with anhydrous magnesium sulfate. The solvent was evaporated away under reduced pressure, and the residue was crystallized with ethyl acetate to give the entitled compound as a white solid (5.15 g). 1H-NMR (400 MHz, CDCl3) delta: 8.94 (1H, s), 8.52 (1H, d, J = 5.1 Hz), 7.90 (2H, d, J = 3.5 Hz), 7.29-7.25 (1H, m), 5.68 (1H, ddt, J = 17.0, 10.2, 6.3 Hz), 5.05 (1H, d, J = 10.2 Hz), 4.91 (1H, d, J = 17.0 Hz), 4.85 (2H, d, J = 6.3 Hz), 2.58 (3H, s). ESI-MS Found: m/z[M+H]+ 300.

	With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 95℃;	Production of 2-allyl-6-(methylthio)- 1 -pyridin-2-yl-3 H-pyrazolo [3 ,4-d]pyrimidin-3 -one : 2.4 mL of Nu,Nu'-dimethylethylenediamine was added to 1,4-dioxane (50 mL) solution of 4.44 g of 2-allyl-6-(memyltWo)-l,2-dmydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, 3,80 g of copper(I) iodide, 5.33 g of 2-iodopyridine and 3.80 g of potassium carbonate, and stirred overnight at 95 C. The reaction liquid was cooled, aqueous ammonia was added thereto and extracted with ethyl acetate, washed with saturated saline water and dried with anhydrous magnesium sulfate. The solvent was evaporated away under reduced pressure, and crystallized with ethyl acetate to obtain 5.15 g of the entitled compound as a white solid. iH-NMR (400 MHz, CDCI3) 5: 8.94 (IH, s), 8.52 (IH, d, J=5.1 Hz), 7.90 (2H, d, J=3.5 Hz), 7.29-7.25 (IH, m), 5.68 (IH, ddt, J=17.0, 10.2, 6.3 Hz), 5.05 (IH, d, J=10.2 Hz), 4.91 (IH, d, J=17.0 Hz), 4.85 (IH, d, J=6.3 Hz), 2.58 (3H, s).
5.15 g	With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 95℃;	Preparative Example 1-1 Production of 2-allyl-6-(methylthio)-l-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one: 2.4 mL of Nu,Nu'-dimethylethylenediamine was added to 1,4-dioxane (50 mL) solution of 4.44 g of 2-allyl-6-(methylthio)-l,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, 3.80 g of copper(I) iodide, 5.33 g of 2-iodopyridine and 3.80 g of potassium carbonate, and stirred overnight at 95C. The reaction liquid was cooled, aqueous ammonia was added thereto and extracted with ethyl acetate, washed with saturated saline water and dried with anhydrous magnesium sulfate. The solvent was evaporated away under reduced pressure, and crystallized with ethyl acetate to obtain 5.15 g of the entitled compound as a white solid. lH-NMR (400 MHz, CDCI3) delta: 8.94 (IH, s), 8.52 (IH, d, J=5.1 Hz), 7.90 (2H, d, J=3.5 Hz), 7.29-7.25 (IH, m), 5.68 (IH, ddt, J=17.0, 10.2, 6.3 Hz), 5.05 (IH, d, J=10.2 Hz), 4.91 (IH, d, J=17.0 Hz), 4.85 (IH, d, J=6.3 Hz), 2.58 (3H, s).
	With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 95℃;	2.4 mL of N,N'-dimethylethylenediamine was added to 1,4-dioxane (50 mL) solution of 4.44 g of <strong>[955368-90-8]2-allyl-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one</strong>, 3.80 g of copper(I) iodide, 5.33 g of 2-iodopyridine and 3.80 g of potassium carbonate, and stirred overnight at 95 C. The reaction liquid was cooled, aqueous ammonia was added thereto and extracted with ethyl acetate, washed with saturated saline water and dried with anhydrous magnesium sulfate. The solvent was evaporated away under reduced pressure, and crystallized with ethyl acetate to obtain the entitled compound as a white solid. 1H-NMR (400 MHz, CDCl3) delta: 8.94 (1H, s), 8.52 (1H, d, J=5.1 Hz), 7.90 (2H, d, J=3.5 Hz), 7.29-7.25 (1H, m), 5.68 (1H, ddt, J=17.0, 10.2, 6.3 Hz), 5.05 (1H, d, J=10.2 Hz), 4.91 (1H, d, J=17.0 Hz), 4.85 (1H, d, J=6.3 Hz), 2.58 (3H, s).

Reference： [1]Patent: US2007/254892,2007,A1 .Location in patent: Page/Page column 45
[2]Patent: WO2008/133866,2008,A1 .Location in patent: Page/Page column 28-29
[3]Patent: EP2213673,2010,A1 .Location in patent: Page/Page column 44
[4]Patent: WO2013/39854,2013,A1 .Location in patent: Page/Page column 28
[5]Patent: WO2014/62454,2014,A1 .Location in patent: Page/Page column 32
[6]Patent: US2016/8361,2016,A1 .Location in patent: Paragraph 0165

4
[ 5029-67-4 ]
[ 13040-77-2 ]

Reference： [1]Tetrahedron Letters,1987,vol. 28,p. 5845 - 5848

5
potassium thiosulfate [ No CAS ]
[ 20485-44-3 ]
[ 70298-88-3 ]
Nitryl chloride [ No CAS ]
[ 5029-67-4 ]
[ 113975-32-9 ]

Yield	Reaction Conditions	Operation in experiment
700 mg (23%)	With n-butyllithium; iodine; In tetrahydrofuran;	EXAMPLE 10 Compounds of the following general formula II-10 may be made, for example by the following general scheme. Iodopyridine 16. The 3-(Pivaloylamino)pyridine 15 (1.9 g, 11 mmol) and tetramethylethylene-diamine (4.0 mL, 26 mmol) were dissolved in dry THF (60 mL) and cooled to -78 C. While maintaining the temperature between -78 C. and -65 C., nBuLi (2.5 M solution in hexanes, 10.6 mL, 26.5 mmol) was added dropwise. The reaction was allowed to warm to -10 C. for 2 h, and then cooled back down to -78 C. Iodine (6.73 g, 26.5 mmol) dissolved in dry THF (20 mL) was added slowly. After stirring for 2 h at -78 C., the reaction was quenched with ice. Excess iodine was destroyed with addition of saturated potassium thiosulfate solution. The product was extracted with CH2Cl2, and the organic layers were washed with brine. The mixture was concentrated in vacuo to a black oil which was chromatographed (1:1 EtOAc/Hexanes; 2:1 EtOAc/Hexanes) to give 700 mg (23%) of 2,2-dimethyl-N-(4-iodo-3-pyridinyl)propanamide as a yellow solid. 1H-NMR (DMSO-d6 300 MHz) δ 9.24 (s, 1H), 8.35 (s, 1H), 8.04 (d, 1H), 7.95 (d, 1H), 1.26 (s, 9H). MS (ES+)=305.

Reference： [1]Patent: US2003/22883,2003,A1

6
[ 5029-67-4 ]
[ 45887-08-9 ]
3-(1-(pyridin-2-yl)-1H-pyrazol-3-yl)pyridine [ No CAS ]

Reference： [1]Crystal Growth and Design,2016,vol. 16,p. 1617 - 1625

7
[ 5029-67-4 ]
[ 6933-49-9 ]
[ 1352932-44-5 ]

Yield	Reaction Conditions	Operation in experiment
91%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate; In toluene; at 120℃; for 18h;	<strong>[6933-49-9]2-methoxy-9H-carbazole</strong> (1.0 eq), 2-iodopyridine (1.2 eq), Pd2(dba)3 (0.05 eq), SPhos (0.10 eq), and K2CO3 (1.0 eq) were dissolved in toluene (0.1 M) and stirred at a temperature of 120 C. for 18 hours. After the reaction mixture was cooled to room temperature, an organic layer was extracted therefrom three times using dichloromethane and water. The extracted organic layer was dried over magnesium sulfate and concentrated, and column chromatography was performed thereon to obtain Intermediate [1-A] (yield: 91%).
60%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; In toluene; for 18h;Inert atmosphere; Reflux;	A 1 L three-neck round-bottom flask was charged with <strong>[6933-49-9]2-methoxy-9H-carbazole</strong> (4.6 g, 23.2 mmol), 2-iodopyridine (3.1 ml, 29.0 mmol), 1,1?-bis(diphenylphosphino)ferrocene (0.514 g, 0.927 mmol), Pd2(dba)3 (0.424 g, 0.463 mmol), sodium tert-butoxide (3.12 g, 32.4 mmol) and toluene (150 mL). The reaction mixture was degassed for 20 minutes and heated to reflux for 18 hours. The reaction mixture was cooled to room temperature and diluted with water. The aqueous layer was extracted three times with EtOAc and the combined organic layers were concentrated. The crude material was chromatographed on silica with 85/15 hexane/EtOAc (v/v) to 70/30 hexane/EtOAc (v/v) to yield 5.5 g (60%) of 2-methoxy-9-(pyridin-2-yl)-9H-carbazole as an off-white solid. The product was confirmed by GC/MS and NMR.

Reference： [1]Patent: US2019/157579,2019,A1 .Location in patent: Paragraph 0359; 0360
[2]Patent: US9461254,2016,B2 .Location in patent: Page/Page column 188

8
[ 5029-67-4 ]
[ 134464-79-2 ]
[ 333985-88-9 ]

Yield	Reaction Conditions	Operation in experiment
106.2 mg	With potassium carbonate; In N,N-dimethyl-formamide; at 70℃; for 16h;	Preparation of tert-butyl 4-(pyridin-2-ylthio)piperidine-l-carboxylate. To a solution of tert-butyl 4-mercaptopiperidine-l-carboxylate (205 mg, 0.94 mmol) and 2- iodopyridine (263 mg, 1.28 mmol) in DMF (3.8 mL) was added potassium carbonate (521 mg, 3.8 mmol). The reaction mixture was stirred 16 h at 70C. The reaction was heated 16 h at 90C. After cooling to ambient temperature, the reaction mixture was diluted with EtOAc and washed with water and brine. The organic extracts were dried over anhydrous Na2S04(s), filtered and concentrated in vacuo. The residue was purified using silica chromatography (0- 50%) EtOAc in Hexanes as the gradient eluent) to afford the title compound (106.2 mg, 361 mmol) in sufficient purity for step 2. MS (apci) m/z = 295.2 (M+H).

Reference： [1]Patent: WO2018/71454,2018,A1 .Location in patent: Paragraph 001917; 001919

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? Alkyl Halide Occurrence ? General Reactivity ? Hiyama Cross-Coupling Reaction ? Kinetics of Alkyl Halides ? Preparation of Amines ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Dihalides ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling

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P373	DO NOT fight fire when fire reaches explosives.
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. 5029-67-4 ] {[proInfo.proName]}

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[ 5029-67-4 ] Synthesis Path-Upstream 1~1

[ 5029-67-4 ] Synthesis Path-Downstream 1~8

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Pyridines

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