1H-Imidazole-5-carbonitrile
Properties
- Molecular formula
- C4H3N3
- Molar mass
- 93.09 g/mol
- Exact mass
- 93.0327 Da
- Melting point
- 143.5–144.5 °C
- logP
- 0.28Crippen estimate
- Polar surface area
- 52.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
57090-88-7SMILES
N#Cc1c[nH]cn1InChIKey
NWVGXXPWOYZODV-UHFFFAOYSA-NInChI
InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Imidazole-4-carbonitrile
- 4-Cyanoimidazole
- 4-Imidazolecarbonitrile
- 4-Cyano-1H-imidazole
Work with 1H-Imidazole-5-carbonitrile
Similar compounds
4-Amino-5-cyanopyrimidine16357-69-050 % similar
2,3-Dicyanopyrazine13481-25-940 % similar
2-Cyanopyridine100-70-939 % similar
3-Amino-6-cyanopyridine55338-73-339 % similar
4,5-Dicyanoimidazole1122-28-738 % similar
Pyrazinecarbonitrile19847-12-238 % similar
1H-1,2,4-Triazole-5-carbonitrile3641-10-938 % similar
4-Oxazolecarbonitrile55242-84-738 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.