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2-Chloro-4-(trifluoromethyl)benzonitrile

2-Chloro-4-(trifluoromethyl)benzonitrile structure

CAS No:
1813-33-8
Formula:
C8H3ClF3N
Chemical Name:
2-Chloro-4-(trifluoromethyl)benzonitrile
Synonyms:
2-Chloro-4-(trifluoromethyl)benzonitrile 98%;3-chloro-4-cyanobenzorifluoride;2-chlor-4-trifluoroMethyl benzonitrile;2-Chloro-α,α,α-trifluoro-p-tolunitrile;3-Chloro-4-cyanobenzotrifluoride, 2-Chloro-alpha,alpha,alpha-trifluoro-p-tolunitrile;3-CHLORO-4-CYANOBENZOTRIFLUORIDE;2-CHLORO-4-(TRIFLUOROMETHYL)BENZONITRILE;BUTTPARK 97\57-31
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to light yellow crystal powder

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

Molecular Weight：

205.56

Exact Mass：

204.990616

DSSTox ID：

DTXSID40371387

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.2

Appearance：

white to light yellow crystal powder

Density：

1.389 g/mL at 25 °C(lit.)

Melting Point：

82-83°C/8mm

Boiling Point：

192-193 °C(lit.)

Flash Point：

>220 °F

Refractive Index：

n 20/D 1.4840(lit.)

Vapor Pressure：

0.0675mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-36

Marks：

Xn,T,Xi

Hazard note：

Toxic

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (14.29%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.56
XLogP3:3.2
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

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Guide of 2-Chloro-4-(trifluoromethyl)benzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

2-Chloro-4-(trifluoromethyl)benzonitrile

SDS

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