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2,6-Dimethylbenzonitrile

2,6-Dimethylbenzonitrile structure

CAS No:
6575-13-9
Formula:
C9H9N
Chemical Name:
2,6-Dimethylbenzonitrile
Synonyms:
Benzonitrile,2,6-dimethyl-;2,6-Dimethylbenzonitrile;2-Cyano-1,3-dimethylbenzene;NSC 98304
Categories:
Chemical Reagents > Organic Reagents

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Description

beige crystalline powder

2,6-Dimethylbenzonitrile Basic Attributes

Molecular Weight：

131.17

Exact Mass：

131.17

BRN：

1932523

EC Number：

229-503-5

UNII：

1ZH37S5B0Z

NSC Number：

98304

DSSTox ID：

DTXSID20215957

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.4

Appearance：

Beige Crystalline Powder

Density：

1.0±0.1 g/cm3

Melting Point：

89-90 °C

Boiling Point：

70-75 °C @ Press: 0.03 Torr

Flash Point：

91.9±11.2 °C

Refractive Index：

1.526

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

hazard class code：

20/21/22

safety instructions：

36/37/39-26

Marks：

Xn,Xi

Hazard note：

Harmful

Precautionary statement(s)：

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, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:131.17
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,6-DIMETHYLBENZONITRILE

CAS No.: 6575-13-9

Content: 99.00%

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