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2,3,4,5,6-Pentamethylbenzonitrile

2,3,4,5,6-Pentamethylbenzonitrile structure

CAS No:
5144-10-5
Formula:
C12H15N
Chemical Name:
2,3,4,5,6-Pentamethylbenzonitrile
Synonyms:
Benzonitrile,2,3,4,5,6-pentamethyl-;Benzonitrile,pentamethyl-;2,3,4,5,6-Pentamethylbenzonitrile;Pentamethylbenzonitrile;2,3,4,5,6-Pentamethylbenzyl cyanide

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2,3,4,5,6-Pentamethylbenzonitrile Basic Attributes

Molecular Weight：

173.259

Exact Mass：

173.25

EC Number：

225-912-8

DSSTox ID：

DTXSID10199414

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.10028

Density：

0.96g/cm3

Melting Point：

158-160ºC

Boiling Point：

313.2ºC at 760mmHg

Flash Point：

143.8ºC

Refractive Index：

1.515

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276

hazard class code：

R20/22

safety instructions：

S22-S36/37

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

GHS Classification：

|Warning|H302 (100%): 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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:173.25
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Exact Mass:173.120449483
Monoisotopic Mass:173.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3,4,5,6-Pentamethylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,3,4,5,6-Pentamethylbenzonitrile

SDS

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