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4-Cyano-2-methylimidazole

4-Cyano-2-methylimidazole structure

CAS No:
112108-86-8
Formula:
C5H5N3
Chemical Name:
4-Cyano-2-methylimidazole
Synonyms:
4-Cyano-2-methylimidazole;2-METHYL-1H-IMIDAZOLE-4-CARBONITRILE(WXG00515)

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4-Cyano-2-methylimidazole Basic Attributes

Molecular Weight：

107.1133

Exact Mass：

107.048

DSSTox ID：

DTXSID90561211

Characteristics

PSA：

52.5

XLogP3：

0.5

Density：

1.21±0.1 g/cm3(Predicted)

Boiling Point：

384.4±15.0 °C(Predicted)

Safety Information

GHS Classification：

|Warning|H302+H312+H332 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:107.11
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:107.048347172
Monoisotopic Mass:107.048347172
Topological Polar Surface Area:52.5
Heavy Atom Count:8
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Cyano-2-methylimidazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Cyano-2-methylimidazole

SDS

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