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4-TRICHLOROMETHYLBENZONITRILE

4-TRICHLOROMETHYLBENZONITRILE structure

CAS No:
2179-45-5
Formula:
C8H4Cl3N
Chemical Name:
4-TRICHLOROMETHYLBENZONITRILE
Synonyms:
4-(trichloromethyl)benzonitrile;4-TRICHLOROMETHYLBENZONITRILE;Benzonitrile,4-(trichloromethyl)-;NSC142538;p-cyanobenzotrichloride;SCHEMBL10524054;CTK4E7688;DTXSID00301347;ZINC1726883;NSC-142538

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4-TRICHLOROMETHYLBENZONITRILE Basic Attributes

Molecular Weight：

220.48300

Exact Mass：

218.94100

NSC Number：

142538

DSSTox ID：

DTXSID00301347

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.38498

Density：

1.45g/cm3

Melting Point：

40-41 °C

Boiling Point：

304.1ºC at 760mmHg

Flash Point：

129.3ºC

Refractive Index：

1.58

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:220.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Exact Mass:218.940932
Monoisotopic Mass:218.940932
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-TRICHLOROMETHYLBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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