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4-(Trifluoromethyl)benzeneacetonitrile

4-(Trifluoromethyl)benzeneacetonitrile structure

CAS No:
2338-75-2
Formula:
C9H6F3N
Chemical Name:
4-(Trifluoromethyl)benzeneacetonitrile
Synonyms:
Benzeneacetonitrile,4-(trifluoromethyl)-;Acetonitrile,(α,α,α-trifluoro-p-tolyl)-;4-(Trifluoromethyl)benzeneacetonitrile;(α,α,α-Trifluoro-p-tolyl)acetonitrile;p-(Trifluoromethyl)phenylacetonitrile;4-(Trifluoromethyl)phenylacetonitrile;4-Trifluoromethylbenzeneacetonitrile;4-Trifluoromethylbenzyl cyanide;p-Trifluoromethylbenzyl cyanide;2-[4-(Trifluoromethyl)phenyl]acetonitrile
Categories:
Chemical Reagents > Organic Reagents

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Description

white crystalline mass or needles

4-(Trifluoromethyl)benzeneacetonitrile Basic Attributes

Molecular Weight：

185.149

Exact Mass：

185.15

EC Number：

219-052-2

DSSTox ID：

DTXSID20177940

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.5

Appearance：

white crystalline mass or needles

Density：

1.2±0.1 g/cm3

Melting Point：

48 °C

Boiling Point：

131.5 °C

Flash Point：

90.3±25.9 °C

Refractive Index：

1.458

Vapor Pressure：

0.0278mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37/39-S26/36/37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (95.56%): 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|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:185.15
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:185.04523368
Monoisotopic Mass:185.04523368
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(Trifluoromethyl)benzeneacetonitrile

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Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-(Trifluoromethyl)benzeneacetonitrile

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