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2,4,6-Trimethylbenzeneacetonitrile

2,4,6-Trimethylbenzeneacetonitrile structure

CAS No:
34688-71-6
Formula:
C11H13N
Chemical Name:
2,4,6-Trimethylbenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,2,4,6-trimethyl-;Acetonitrile,mesityl-;2,4,6-Trimethylbenzeneacetonitrile;2,4,6-Trimethylbenzyl cyanide;(2,4,6-Trimethylphenyl)acetonitrile;Mesitylacetonitrile;2-(2,4,6-Trimethylphenyl)ethanenitrile;2-Mesitylacetonitrile;2-(2,4,6-Trimethylphenyl)acetonitrile

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Description

white to off-white crystals or crystalline powder

2,4,6-Trimethylbenzeneacetonitrile Basic Attributes

Molecular Weight：

159.23

Exact Mass：

159.23

BRN：

1942677

EC Number：

252-151-9

DSSTox ID：

DTXSID20188238

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

2.83

Density：

1.0±0.1 g/cm3

Melting Point：

79 °C

Boiling Point：

150-155 °C @ Press: 15 Torr

Flash Point：

120°C/1mm

Refractive Index：

1.522

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22

safety instructions：

22-26-36

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:159.23
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:159.104799419
Monoisotopic Mass:159.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4,6-Trimethylbenzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

2,4,6-Trimethylbenzeneacetonitrile

SDS

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