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4-AMINO-3-CHLORO-5-METHYLBENZONITRILE

4-AMINO-3-CHLORO-5-METHYLBENZONITRILE structure

CAS No:
158296-69-6
Formula:
C8H7ClN2
Chemical Name:
4-AMINO-3-CHLORO-5-METHYLBENZONITRILE
Synonyms:
BUTTPARK 20\03-73;4-AMINO-3-CHLORO-5-METHYLBENZONITRILE;2-Chloro-4-cyano-6-methylaniline;4-AMINO-3-CHLORO-5-METHYLBENZONITRILE: TECH., 90%
Categories:
Chemical Reagents > Organic Reagents

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4-AMINO-3-CHLORO-5-METHYLBENZONITRILE Basic Attributes

Molecular Weight：

166.61

Exact Mass：

166.029770

BRN：

7527075

EC Number：

-0

DSSTox ID：

DTXSID30370667

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

2.61

Density：

1.27±0.1 g/cm3(Predicted)

Melting Point：

126 °C

Boiling Point：

302.0±42.0 °C(Predicted)

Flash Point：

136.5±27.9 °C

Refractive Index：

1.594

Vapor Pressure：

0.00102mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22

safety instructions：

22-36/37

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (16.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.61
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:166.0297759
Monoisotopic Mass:166.0297759
Topological Polar Surface Area:49.8
Heavy Atom Count:11
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 158296-69-6

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 4-AMINO-3-CHLORO-5-METHYLBENZONITRILE

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Characteristics
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