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3,5-Dimethylbenzeneacetonitrile

3,5-Dimethylbenzeneacetonitrile structure

CAS No:
39101-54-7
Formula:
C10H11N
Chemical Name:
3,5-Dimethylbenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3,5-dimethyl-;Acetonitrile,(3,5-xylyl)-;3,5-Dimethylbenzeneacetonitrile;(3,5-Dimethylphenyl)acetonitrile;3,5-Dimethylbenzyl cyanide;2-(3,5-Dimethylphenyl)acetonitrile;1-Cyanomethyl-3,5-dimethylbenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-Dimethylbenzeneacetonitrile Basic Attributes

Molecular Weight：

145.2

Exact Mass：

145.20

EC Number：

254-292-1

DSSTox ID：

DTXSID80192351

Characteristics

PSA：

23.8 Å²

Density：

0.979±0.06 g/cm3

Melting Point：

45 °C

Boiling Point：

132 °C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

hazard class code：

20/21/22

safety instructions：

36/37

GHS Classification：

|Warning|H302 (83.33%): 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:145.20
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:145.089149355
Monoisotopic Mass:145.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,5-Dimethylphenylacetonitrile

CAS No.: 39101-54-7

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Guide of 3,5-Dimethylbenzeneacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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