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3-(Trifluoromethyl)benzonitrile

3-(Trifluoromethyl)benzonitrile structure

CAS No:
368-77-4
Formula:
C8H4F3N
Chemical Name:
3-(Trifluoromethyl)benzonitrile
Synonyms:
Benzonitrile,3-(trifluoromethyl)-;m-Tolunitrile,α,α,α-trifluoro-;3-(Trifluoromethyl)benzonitrile;m-(Trifluoromethyl)benzonitrile;α,α,α-Trifluoro-m-tolunitrile;m-(Trifluoromethyl)cyanobenzene;1-Cyano-3-(trifluoromethyl)benzene;NSC 88314
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Colorless to light yellow liquid

3-(Trifluoromethyl)benzonitrile Basic Attributes

Molecular Weight：

171.12

Exact Mass：

171.12

BRN：

1868102

EC Number：

206-711-4

UNII：

Y7ZD7DK3AY

NSC Number：

88314

DSSTox ID：

DTXSID4022026

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

Appearance：

Colorless or light yellow liquid

Density：

1.2821 g/cm³ @ Temp: 20 °C

Melting Point：

14.5 °C

Boiling Point：

189 °C

Flash Point：

162 °F

Refractive Index：

1.461

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/38

safety instructions：

45-36-36/37-26

Marks：

Hazard note：

Lachrymatory

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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

Computed Properties

Molecular Weight:171.12
XLogP3:3
Hydrogen Bond Acceptor Count:4
Exact Mass:171.02958362
Monoisotopic Mass:171.02958362
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Trifluoromethyl)benzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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3-(Trifluoromethyl)benzonitrile

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