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1-CYANOIMIDAZOLE

1-CYANOIMIDAZOLE structure

CAS No:
36289-36-8
Formula:
C4H3N3
Chemical Name:
1-CYANOIMIDAZOLE
Synonyms:
1H-IMIDAZOLE-1-CARBONITRILE;1-CYANOIMIDAZOLE;1-Cyano-1H-imidazole;N-cyanoimidazole

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1-CYANOIMIDAZOLE Basic Attributes

Molecular Weight：

93.09

Exact Mass：

93.032697108

UNII：

S26K6QWG5X

DSSTox ID：

DTXSID40189828

HScode：

2933290090

Characteristics

PSA：

41.61000

XLogP3：

0.21228

Appearance：

White Crystalline Solid

Density：

1.16±0.1 g/cm3

Melting Point：

59.5-60.5

Boiling Point：

185-189

Flash Point：

85.2ºC

Refractive Index：

1.597

PKA：

0.98±0.10

Safety Information

hazard class code：

22-41

safety instructions：

26-39

Marks：

Xi,Xn

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-cyanoimidazole

1-CYANOIMIDAZOLE Use and Manufacturing

It has been examined as a ligand and as a pseudo-cyanide.

Computed Properties

Molecular Weight:93.09
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:93.032697108
Monoisotopic Mass:93.032697108
Topological Polar Surface Area:41.6
Heavy Atom Count:7
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-CYANOIMIDAZOLE

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

1-CYANOIMIDAZOLE

SDS

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