[ CAS No. 7400-27-3 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 7400-27-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 7400-27-3 ]

SDS Specification

Alternatived Products of [ 7400-27-3 ]

Product Details of [ 7400-27-3 ]

CAS No. :	7400-27-3	MDL No. :	MFCD00012947
Formula :	C₄H₁₃ClN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DDPWVABNMBRBFI-UHFFFAOYSA-N
M.W :	124.61	Pubchem ID :	81889
Synonyms :

Calculated chemistry of [ 7400-27-3 ] Expand+

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	33.85
TPSA :	38.05 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.46 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.84
Log Po/w (WLOGP) :	1.05
Log Po/w (MLOGP) :	1.04
Log Po/w (SILICOS-IT) :	-0.76
Consensus Log Po/w :	0.44

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.08
Solubility :	10.5 mg/ml ; 0.084 mol/l
Class :	Very soluble
Log S (Ali) :	-1.22
Solubility :	7.48 mg/ml ; 0.06 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.68
Solubility :	26.0 mg/ml ; 0.208 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.42

Safety of [ 7400-27-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P270-P264-P280-P337+P313-P305+P351+P338-P332+P313-P301+P312+P330	UN#:	N/A
Hazard Statements:	H302-H316-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 7400-27-3 ]

* 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 [ 7400-27-3 ]
Downstream synthetic route of [ 7400-27-3 ]

[ 7400-27-3 ] Synthesis Path-Upstream 1~1

1
[ 80370-42-9 ]
[ 7400-27-3 ]
[ 950858-65-8 ]

Reference： [1] Patent: US2007/225280, 2007, A1, . Location in patent: Page/Page column 31

[ 7400-27-3 ] Synthesis Path-Downstream 1~9

1
[ 7400-27-3 ]
[ 17823-69-7 ]
5-amino-1-tert-butyl-4-carboxamido-3-(methylthio)pyrazole [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 5894 - 5911

2
[ 80370-42-9 ]
[ 7400-27-3 ]
[ 950858-65-8 ]

Yield	Reaction Conditions	Operation in experiment
		Formyl-3-oxo-propionic acid ethyl ester (75.85 g, 525.6 mmol) was dissolved in ethanol (1 L) at room temp. Tert-butylhydrazine hydrochloride (65.5 g, 525.6 mmol) was added at room temp and the reaction temperature gradually increased to 32° C. The flask was then placed in an ice-bath to cool it back to 20° C. It took ca. 1 h for t-butylhydrazine to fully dissolve. The solution was stirred at room temp. for 3 h. The reaction mixture was cooled in an ice-bath. Sodium hydroxide (4N, 152.4 g) was added to neutralize the hydrochloric acid. Most of the ethanol was then removed in vacuo and methanol (300 ml) was added followed by additional sodium hydroxide (4N, 304.8 g, 1.05 mol). The internal temperature gradually rose to 32° C. The reaction flask was then placed in a water bath to cool it back to room temp. and the reaction was allowed to stir at room temp. for 18 h. Methanol (300 ml) was then removed in vacuo with the water bath temperature kept below 30° C. The reaction mixture was then cooled to 0° C. and hydrochloric acid (6N, 190 ml) was added slowly to keep internal temperature below 15° C. The solution was adjusted to pH=2. The resulting suspension was allowed to stir in the ice-bath for 2 h, and the solid was filtered. After drying at 60° C. in vacuo for 2.5 days, 1-tert-butyl-1H-pyrazole-4-carboxylic acid (56.06 g) of off-white solid was collected. The mother liquor was extracted 3 times with dichloromethane (200 ml.x.3). The combined organic layer was washed once with brine (100 ml) and dried over magnesium sulfate. After concentrating in vacuo and drying, 16.5 g of yellowish solid was collected. The crude material was crystallized in hot iso-propyl acetate (25 ml) and heptane (25 ml). After cooling to room temp, the solid was filtered off and the cake was washed with mixed solvent of isopropyl acetate and heptane (1/1 (v/v, 14 ml) and dried in oven at 60° C. in vacuo for 5 h. A second crop of 1-tert-butyl-1H-pyrazole-4-carboxylic acid (7 g) was collected as a white solid.

Reference： [1]Patent: US2007/225280,2007,A1 .Location in patent: Page/Page column 31

3
[ 7400-27-3 ]
[ 123-06-8 ]
[ 158001-28-6 ]

Yield	Reaction Conditions	Operation in experiment
96%	With triethylamine; In ethanol; water; at 78.0℃; for 3.0h;	Dissolve tert-butylhydrazine hydrochloride (8 g, 64.20 mmol) and triethylamine (6.50 g, 64.20 mmol) in 500 mL of absolute ethanol. Then, 2-ethoxymethylenemalononitrile (7.83 g, 64.20 mmol) was slowly added dropwise to the reaction flask with stirring. It was heated to reflux at 78 C. After about 3 h, the reaction was monitored by TLC (developer: PE / EtOAc = 1: 1). After the reaction solution was cooled to room temperature, the solvent was concentrated under reduced pressure to remove the solvent, and 100 mL of water and CH 2 Cl 2 (300 mL × 3) were added for extraction. The organic phases were combined, dried by adding an appropriate amount of anhydrous sodium sulfate, and concentrated to obtain an orange-yellow viscous solid. The obtained crude product was dissolved in 60 mL of an ethyl acetate-n-hexane (1: 9) mixed solution, sonicated for about 5 min, and allowed to stand. Observed that a large number of crystal forms precipitated, and filtered (washed 3 times with the ethyl acetate-n-hexane mixed solution). Drying gave 10.11 g of 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile as an orange solid product, yield: 96%.
96%	With triethylamine; In ethanol; at 78.0℃; for 3.0h;	tert-butylhydrazine hydrochloride (8g, 64.20mmol) and triethylamine (6.50g, 64.20mmol) In 500 mL of absolute ethanol, 2-ethoxymethylenemalononitrile (7.83 g, 64.20 mmol) was slowly added dropwise to the reaction flask with stirring.It was heated to reflux at 78 C. After about 3 h, the reaction was monitored by TLC (developer: PE / EtOAc = 1: 1).After the reaction solution was cooled to room temperature, the solvent was concentrated under reduced pressure to remove the solvent, and 100 mL of water and CH2Cl2(300 mL × 3) were added for extraction. The organic phases were combined, dried by adding an appropriate amount of anhydrous sodium sulfate, and concentrated to obtain an orange-yellow viscous solid.The obtained crude product was dissolved in 60 mL of an ethyl acetate-n-hexane (1: 9) mixed solution, sonicated for about 5 min, and allowed to stand. Observed that a large number of crystal forms precipitated, and filtered (washed 3 times with the ethyl acetate-n-hexane mixed solution) Drying gave 10.11 g of 1-tert-butyl-5-amino-1H-pyrazole-4-carbonitrile as an orange solid product, yield: 96%.
94%		To a suspension of fe/ -butylhydrazine hydrochloride (15.0 g, 120.4 mmol) in ethanol (600 ml_) was added triethylamine (16.8 ml_, 120.4 mmol). The mixture was stirred for 60 min until the hydrazine had dissolved. Ethoxymethylenemalononitrile (14.7 g, 120.4 mmol) was added in portions and the reaction mixture was heated to 80 C and stirred at this temperature overnight. The reaction mixture was concentrated to dryness and the obtained residue was taken up in EtOAc. The organic layer was washed with water, dried over Na2S04, filtered and concentrated under reduced pressure. The solid was then recrystallized in DCM to afford 5-amino-1 -fe/?-butyl-pyrazole-4-carbonitrile (18.6 g, 1 13.4 mmol, 94% yield) as a light yellow solid. LC-MS (ES+, method 1): 1 .36 min, m/z 165.1 [M+H]+

83%	With triethylamine; In ethanol; for 3.0h;Reflux;	In tert-butylhydrazine hydrochloride (8.67 g, 69.6 mmol)Was added triethylamine (9.7 mL, 69.6 mmol)After adding anhydrous ethanol (460 mL), the mixture was stirred and dissolved at room temperature,Ethoxymethylenemalononitrile (8.5 g, 69.6 mmol) was added in small portions.After heating the solution to reflux for 3 hours,After cooling, the solvent was evaporated to give an orange solid.And extracted with ethyl acetate (0.5 L) and water (0.25 L)After drying by adding magnesium sulfate,The organic layer was evaporated to give an orange-yellow solid.The resulting solid was continuously washed with a 10% ethyl acetate in cyclohexane solution to give a crystalline solid5-amino-1-tert-butyl hydrogen - pyrazol-4-cyano 9.54g(Yield: 83%).
83%	With triethylamine; In ethanol; at 20.0℃; for 3.0h;Reflux;	Triethylamine (9.7mL, 69.6mmol) was added to tert-butylhydrazine hydrochloride (8.67g, 69.6mmol) After adding absolute ethanol (460mL) and stirring at room temperature to dissolve, Ethoxymethylenemalononitrile (8.5 g, 69.6 mmol) was added in small portions, the solution was heated to reflux for 3 hours, and then the solvent was evaporated in vacuo to obtain a crude orange product. It was extracted with a mixed solution of ethyl acetate (0.5 L) and water (0.25 L), dried over anhydrous magnesium sulfate, and the organic layer was evaporated to obtain an orange solid. Continue to wash the obtained solid with a cyclohexane solution containing 10% ethyl acetate to obtain crystalline solid 5-amino-1-tert-butyl 1hydro-pyrazole-4-cyano 9.54g (yield 83% ).
64.4%	With triethylamine; In ethanol; for 3.0h;Heating / reflux;	A mixture of t-butylhydrazine hydrochloride (4.67 g, 53 mmol) and triethylamine (5.35 g, 53 mmol) in anhydrous ethanol (250 ml) was stirred and ethoxymethylene malononitrile (6.47 g, 53 mmol) was slowly added in portions. The mixture was heated at reflux for 3 hr. The solvent was removed in vacuo and the product was crystallized from ethyl acetate -hexane followed by ether to afford the title compound as light pale brown crystals (5.6 g, 64.4 %); LC/MS, API-ES, Neg, (M-H)", 163.0.
	With triethylamine; In ethanol; for 3.0h;Heating / reflux;	A mixture of t-butylhydrazine hydrochloride (4.67 g, 53 mmol) and triethylamine (5.35 g, 53 mmol) in anhydrous ethanol (250 ml) was stirred and ethoxymethylene malononitrile (6.47 g, 53 mmol) was slowly added in portions. The mixture was heated at reflux for 3 hr. The solvent was removed in vacuo and the product was crystallized from ethyl acetate - hexane followed by ether to afford 5-amino-l-tert-butyl-lH-pyrazole-4-carbonitrile as light pale brown crystals (5.6 g, 34.1 mmol); LC/MS, API-ES, Neg, (M-H)", 163.0.
	With triethylamine; In ethanol; at 82.0℃; for 3.0h;Inert atmosphere;	[0814] Example 1: 5-amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile (I1): . In a 250mL flame-dried argon purged round bottom flask, triethylamine (1.78g, 17.7mmol), and t- butyl hydrazine hydrochloride (1.56g, 12.5mmol) are dissolved in anhydrous ethanol (85mL). Ethoxymethylenemalononitrile (1.98g, 17.7mmol) is added slowly and reaction mixture is brought to reflux at 82C for 3 hours. The solvent is removed in vacuo and 10% ethyl acetate / hexane is added (5mL) and the mixture is sonicated (or simply utilize recrystallization from 10% ethyl acetate / hexane). The resulting crystalline solid is filtered, and washed with ether to yield I1. LC-MS (ES+) calcd for C8H12N4 (M+H)+ 165.11, found 165.05.

Reference： [1]Patent: CN110526921,2019,A .Location in patent: Paragraph 0094-0095; 0098; 0114
[2]Patent: CN110467618,2019,A .Location in patent: Paragraph 0080; 0090-0092
[3]MedChemComm,2017,vol. 8,p. 640 - 646
[4]Patent: WO2017/46604,2017,A1 .Location in patent: Paragraph 00228
[5]Organic Letters,2012,vol. 14,p. 3906 - 3908
[6]Patent: CN106008527,2016,A .Location in patent: Paragraph 0048; 0049; 0050; 0051
[7]Patent: CN110642861,2020,A .Location in patent: Paragraph 0065-0069
[8]European Journal of Organic Chemistry,2008,p. 3377 - 3381
[9]Patent: WO2007/126841,2007,A2 .Location in patent: Page/Page column 73
[10]Patent: WO2009/62118,2009,A2 .Location in patent: Page/Page column 170
[11]Patent: WO2017/161344,2017,A1 .Location in patent: Paragraph 0813-814
[12]Journal of Medicinal Chemistry,2017,vol. 60,p. 9976 - 9989

4
[ 7400-27-3 ]
[ 920-37-6 ]
[ 442850-71-7 ]

Yield	Reaction Conditions	Operation in experiment
		Synthesis of 1-tert-butyl-1H-pyrazol-5-amine To 600 ml of ethanol were successively added 59.94 g of tert-butylhydrazine hydrochloride, 79.3 g of sodium acetate and 50 ml of 2-chloroacrylonitrile at room temperature, followed by stirring the reaction mixture at 80 C. for 12 hours. After removing the solvent in vacuo, water was added to the residue. The mixture was neutralized with sodium hydrogen carbonate, and extracted with ethyl acetate. The obtained ethyl acetate solution was washed with brine, dried over anhydrous magnesium sulfate and filtered. The filtrate was concentrated in vacuo. The obtained residue was purified by a silica gel column chromatography (eluent: hexane/ethyl acetate=2/1-1/2) to give the title compound as a pale yellow oil.

Reference： [1]Patent: US2008/58347,2008,A1 .Location in patent: Page/Page column 63

5
[ 7400-27-3 ]
[ 920-37-6 ]
[ 1152980-49-8 ]
[ 442850-71-7 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate; In ethanol; at 80℃; for 18.0h;	tert-Butylhydrazinehydrochloride (5.99 g, 48.1 mmol) was added to EtOH (60 mL) to form a slurry. To this was added NaOAc (7.93 g, 96.7 mmol) and 2-chloroacrylonitrile (5 mL,62.6 mmol). The solution was heated to 80 C for 18 h, cooled, and the solvent removed in vacuo. The residue was slowly diluted with distilled H2O (35 mL) and partitioned between sat. aq NaHCO3 (40 mL) and EtOAc (40 mL). The organic layer was separated and the aqueous layer was extracted with EtOAc (2 × 20 mL). The organic layers were combined, washed with brine (20 mL), dried (MgSO4), and the solvent removed in vacuo to afford a red oil; yield: 7.95 g (91%); bp 93-94C/0.9 Torr (yellow liquid). The product was a 5:1 mixture of the title compound 6c and its 1-tert-butyl-3-amino isomer. The crude product was used to prepare the Meldrum?s acid derivative 3c, which was purified by recrystallization (see below).

Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 6799 - 6801
[2]Synthesis,2015,vol. 47,p. 242 - 248

6
[ 1118-61-2 ]
[ 7400-27-3 ]
[ 141459-53-2 ]

Yield	Reaction Conditions	Operation in experiment
92%	With sodium hydroxide; In water; at 90℃; for 18h;	Intermediate P : 1 -tert-Butyl-3-methyl-1 H-pyrazol-5-amine tert- Butylhydrazine hydrochloride (15.2 g, 122 mmol) was added to the aqueous solution of sodium hydroxide (60 mL, 2M, 122 mmol) and stirred until dissolution of a solid. To the mixture 3-aminobut-2-enenitrile (10 g, 122 mmol) was added. The reaction mixture was stirred while heating at 90C for 18 hours, then cooled to room temperature and extracted with dichloromethane (3 χ 50 mL). Organic layers were combined, washed with brine, dried (Na2S04) and concentrated under reduced pressure to obtain title product as a white, amorphous solid with the yield of 92% (17.2 g, 1 12 mmol). 1H NMR (500 MHz, CDCl3) δ 7.25 (t, J=8.3 Hz, 1 H), 6.50 (d, J=8.3 Hz, 2H), 3.88 (s, 6H).

Reference： [1]Patent: WO2014/20531,2014,A1 .Location in patent: Page/Page column 14
[2]Organic Syntheses,2012,vol. 89,p. 537 - 548
[3]Organic Process Research and Development,2012,vol. 16,p. 70 - 81
[4]ACS Chemical Neuroscience,2017,vol. 8,p. 1873 - 1879

7
[ 6283-81-4 ]
[ 7400-27-3 ]
[ 1629161-95-0 ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 5643 - 5647
Angew. Chem.,2014,vol. 126,p. 5749 - 5753,5

8
[ 31686-94-9 ]
[ 7400-27-3 ]
5-(4-fluorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylate ethyl [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
59.1 mg	With hydrogenchloride; In ethanol; water; at 20℃;	Example 55 Ethyl 1-(tert-butyl)-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate To a solution of <strong>[31686-94-9]ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate</strong> (55.9 mg, 0.235 mmol) in ethanol (2.5 mL) was slowly added tert-butyl hydrazine hydrogen chloride (48.0 mg, 0.378 mmol). Following the addition of 1M HCl 0.5 mL thereto, the reaction mixture was stirred overnight at room temperature. When the reaction was completed as monitored by TLC (Hexane:EtOAc=6:1), the reaction mixture was concentrated in vacuo. After extraction with dichloromethane and water, the organic layer thus formed was dried over anhydrous magnesium sulfate, filtered, and concentrated. The concentrated filtrate was purified by column chromatography (Hexane:EtOAc=6:1) to afford the title compound (59.1 mg, 87%, yellow solid). 1H NMR (300 MHz, CDCl3) delta 7.38-7.32 (m, 2H), 7.17-7.11 (m, 2H), 6.71 (s, 1H), 4.43 (q, J=7.1 Hz, 2H), 1.53 (s, 9H), 1.43 (t, J=7.1 Hz, 3H)

Reference： [1]Patent: US2015/329533,2015,A1 .Location in patent: Paragraph 0235; 0236

9
C₂₁H₂₄N₂O₅S [ No CAS ]
[ 7400-27-3 ]
[ 57297-29-7 ]
C₂₉H₃₇N₅O₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		YYY-4 (40 mg, 0.096 mmol) is dissolved in N,N-dimethylacetamide (1 ml). HATU (40.3 mg, 0.106 mmol) is added and the mixture is stirred to result a solution. To the resulting solution is added to <strong>[57297-29-7]cyclopropanecarboximidamide hydrochloride</strong> (17.4 mg, 144 jtmol), followed by diisopropylamine (5 1.830 iL, 0.288 mmol). The mixture is then shaken at rt for 3 hours. A solution of t-butylhydrazine hydrochloride (18 mg, 144 imol) in DMA (0.5 mL) is added followed by acetic acid (55 iL, 0.960 mmol). The mixture is shaken at 80 °C for 3 hours. The reaction mixture is purified by reverse phase HPLC to obtain Example 36.

Reference： [1]Patent: WO2018/111803,2018,A1 .Location in patent: Paragraph 42; 43

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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. 7400-27-3 ] {[proInfo.proName]}

Quality Control of [ 7400-27-3 ]

Related Doc. of [ 7400-27-3 ]

Product Details of [ 7400-27-3 ]

Calculated chemistry of [ 7400-27-3 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 7400-27-3 ]

Application In Synthesis of [ 7400-27-3 ]

[ 7400-27-3 ] Synthesis Path-Upstream 1~1

[ 7400-27-3 ] Synthesis Path-Downstream 1~9

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry