Prop-2-yn-1-yl 1H-imidazole-1-carboxylate
Properties
- Molecular formula
- C7H6N2O2
- Molar mass
- 150.14 g/mol
- Exact mass
- 150.0429 Da
- logP
- 0.50Crippen estimate
- Polar surface area
- 44.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed23.1% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H314 Causes severe skin burns and eye damage21.2% of notifiers
- H317 May cause an allergic skin reaction23.1% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H400 Very toxic to aquatic life21.2% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, P501
Identifiers
CAS number
83395-38-4SMILES
C#CCOC(=O)N1C=CN=C1InChIKey
LLVCOZOEWQQTAV-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1H-Imidazole-1-carboxylicacid,2-propynylester(9ci)
Work with Prop-2-yn-1-yl 1H-imidazole-1-carboxylate
Similar compounds
1-(tert-Butoxycarbonyl)imidazole49761-82-248 % similar
1,1'-Oxalyldiimidazole18637-83-743 % similar
1,1′-Carbonyldiimidazole530-62-143 % similar
1-(1H-Imidazol-1-yl)ethanone2466-76-439 % similar
1,1'-Thiocarbonyldiimidazole6160-65-239 % similar
1-(Trifluoroacetyl)imidazole1546-79-837 % similar
1H-Imidazol-1-ylphenylmethanone10364-94-035 % similar
Propargyl acrylate10477-47-134 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.