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2,5-Dimethylbenzeneacetonitrile

2,5-Dimethylbenzeneacetonitrile structure

CAS No:
16213-85-7
Formula:
C10H11N
Chemical Name:
2,5-Dimethylbenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,2,5-dimethyl-;Acetonitrile,(2,5-xylyl)-;2,5-Dimethylbenzeneacetonitrile;2,5-Dimethylphenylacetonitrile;2,5-Dimethylbenzyl cyanide;NSC 85352;2-(2,5-Dimethylphenyl)acetonitrile
Categories:
Chemical Reagents > Organic Reagents

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2,5-Dimethylbenzeneacetonitrile Basic Attributes

Molecular Weight：

145.2

Exact Mass：

145.20

EC Number：

240-339-3

UNII：

ULT00P22MN

NSC Number：

85352

DSSTox ID：

DTXSID90167313

Characteristics

PSA：

23.8 Å²

Density：

1.0353

Melting Point：

27-29 °C

Boiling Point：

88-90 °C @ Press: 1.7 Torr

Refractive Index：

1.5000 (estimate)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

36/37/38-20/21/22

safety instructions：

37/39-26-36/37

RTECS Number：

AM2675000

Marks：

GHS Classification：

|Danger|H301+H311+H331 (14.29%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 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:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,5-Dimethylphenylacetonitrile

CAS No.: 16213-85-7

Content: 99.00%

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Guide of 2,5-Dimethylbenzeneacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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