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5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE structure

CAS No:
51516-67-7
Formula:
C10H7ClN4
Chemical Name:
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Synonyms:
5-AMINO-4-CYANO-1-(4-CHLOROPHENYL)PYRAZOLE;5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE;BUTTPARK 87\09-40;5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-&;5-Amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile;5-AMINO-1-(4-CHLOROPHENYL)-4-CYANOPYRAZOLE;5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile ,97%;5-aMino-1-(4-chlorophenyl)-1H-pyrazole-4-

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Description

White to off-white crystalline powder

5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE Basic Attributes

Molecular Weight：

218.64

Exact Mass：

218.03600

DSSTox ID：

DTXSID00348616

HScode：

2933199090

Characteristics

PSA：

67.6

XLogP3：

2.4

Density：

1.41g/cm3

Melting Point：

169-173 °C

Boiling Point：

424.2°C at 760 mmHg

Flash Point：

210.4ºC

Refractive Index：

1.686

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

wgk germany：

hazard class code：

22-37/38-41-36/37/38-20/21/22

safety instructions：

26-36/39-36/37/39-22

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE Use and Manufacturing

General procedure: A mixture of the appropriate phenylhydrazine (0.001 mol)and 10 mL of ethanol was stirred and allowed to reflux.Then, 2-(ethoxymethylene)malononitrile (0.001 mol) dissolvedin 10 mL of ethanol was slowly added. The reactionmixture was refluxed for 2 h. The reaction mixture waspoured into 50 mL of ice-cold water. The precipitate wascollected by filtration and washed with water to provide10a–c in 61–80percent yield.

Computed Properties

Molecular Weight:218.64
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:218.0359239
Monoisotopic Mass:218.0359239
Topological Polar Surface Area:67.6
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Chloroaniline

Sodium nitrite

Hydrochloric acid

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Guide of 5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material

5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

SDS

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