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4-(2-methylimidazol-1-yl)benzonitrile

4-(2-methylimidazol-1-yl)benzonitrile structure

CAS No:
122957-50-0
Formula:
C11H9N3
Chemical Name:
4-(2-methylimidazol-1-yl)benzonitrile

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4-(2-methylimidazol-1-yl)benzonitrile Basic Attributes

Molecular Weight：

183.20900

Exact Mass：

183.079647300

DSSTox ID：

DTXSID70566845

HScode：

2933290090

Characteristics

PSA：

41.61000

XLogP3：

2.05238

Density：

1.11g/cm3

Melting Point：

138ºC

Boiling Point：

381.5ºC at 760mmHg

Flash Point：

184.5ºC

Refractive Index：

1.61

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:183.21
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:183.079647300
Monoisotopic Mass:183.079647300
Topological Polar Surface Area:41.6
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-methylimidazol-1-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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