Imidazol-1-yl-acetonitrile
Properties
- Molecular formula
- C5H5N3
- Molar mass
- 107.12 g/mol
- Exact mass
- 107.0483 Da
- logP
- 0.41Crippen estimate
- Polar surface area
- 41.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H301 Toxic if swallowed33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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
98873-55-3SMILES
C1=CN(C=N1)CC#NInChIKey
ZPGCVVBPGQJSPX-UHFFFAOYSA-NInChI
InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (1-Imidazolyl)acetonitrile
Work with Imidazol-1-yl-acetonitrile
Similar compounds
1-Propylimidazole35203-44-248 % similar
1-Ethylimidazole7098-07-946 % similar
1-Benzylimidazole4238-71-544 % similar
Imidazole-1-ethanol1615-14-143 % similar
1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-543 % similar
1-(2-Phenylethyl)-1H-imidazole49823-14-542 % similar
1-Allylimidazole31410-01-242 % similar
1-Cyanoimidazole36289-36-841 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.