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5-Fluoro-2-(trifluoromethyl)benzonitrile

5-Fluoro-2-(trifluoromethyl)benzonitrile structure

CAS No:
240800-45-7
Formula:
C8H3F4N
Chemical Name:
5-Fluoro-2-(trifluoromethyl)benzonitrile
Synonyms:
Benzonitrile,5-fluoro-2-(trifluoromethyl)-;5-Fluoro-2-(trifluoromethyl)benzonitrile
Categories:
Chemical Reagents > Organic Reagents

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5-Fluoro-2-(trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

189.11

Exact Mass：

189.11

DSSTox ID：

DTXSID20372135

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.55

Density：

1.4±0.1 g/cm3

Melting Point：

150-155 °C(lit.)

Boiling Point：

196.4±35.0 °C at 760 mmHg

Flash Point：

88.9±17.3 °C

Refractive Index：

1.444

Vapor Pressure：

0.399mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

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

safety instructions：

26-36/37/39-36

Marks：

T,Xi,Xn

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

GHS Classification：

|Danger|H301 (22.22%): Toxic if swallowed [Danger Acute toxicity, oral]|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 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.11
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Exact Mass:189.02016175
Monoisotopic Mass:189.02016175
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Fluoro-2-(trifluoromethyl)benzonitrile

CAS No.: 240800-45-7

Content: 99.00%

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Guide of 5-Fluoro-2-(trifluoromethyl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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5-Fluoro-2-(trifluoromethyl)benzonitrile

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