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4-Chloro-3-(trifluoromethyl)benzonitrile

4-Chloro-3-(trifluoromethyl)benzonitrile structure

CAS No:
1735-54-2
Formula:
C8H3ClF3N
Chemical Name:
4-Chloro-3-(trifluoromethyl)benzonitrile
Synonyms:
Benzonitrile,4-chloro-3-(trifluoromethyl)-;m-Tolunitrile,4-chloro-α,α,α-trifluoro-;4-Chloro-3-(trifluoromethyl)benzonitrile;3-(Trifluoromethyl)-4-chlorobenzonitrile;2-Chloro-5-cyanobenzotrifluoride;4-Chloro-α,α,α-trifluoro-m-tolunitrile;4-Chloro-3-trifluoromethylbenzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Off-white crystalline

4-Chloro-3-(trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

205.56

Exact Mass：

205.56

BRN：

2103768

DSSTox ID：

DTXSID20371385

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.9

Density：

1.43±0.1 g/cm3(Predicted)

Melting Point：

66-68°C

Boiling Point：

100-105°C11mm

Flash Point：

100-105°C/11mm

Refractive Index：

1.485

Vapor Pressure：

0.0798mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

hazard class code：

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

safety instructions：

26-36/37/39

Marks：

T,Xn

Hazard note：

Toxic

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, P501

Hazard Statements：

H302+H332

GHS Classification：

|Danger|H302+H332 (96.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 162 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.56
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Exact Mass:204.9906113
Monoisotopic Mass:204.9906113
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 4-Chloro-3-(trifluoromethyl)benzonitrile

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Guide of 4-Chloro-3-(trifluoromethyl)benzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-Chloro-3-(trifluoromethyl)benzonitrile

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