2-Acetylbenzonitrile
Properties
- Molecular formula
- C9H7NO
- Molar mass
- 145.16 g/mol
- Exact mass
- 145.0528 Da
- logP
- 1.76Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% 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, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
91054-33-0SMILES
CC(=O)C1=CC=CC=C1C#NInChIKey
UZSGWJQJDLCCFN-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Acetylbenzenecarbonitrile
Work with 2-Acetylbenzonitrile
Similar compounds
1,2-Diacetylbenzene704-00-762 % similar
2-Cyanobenzoic acid3839-22-356 % similar
Methyl o-cyanobenzoate6587-24-256 % similar
2′-Bromoacetophenone2142-69-052 % similar
2′-Methylacetophenone577-16-252 % similar
3-Acetylbenzonitrile6136-68-151 % similar
2'-Hydroxyacetophenone104809-67-850 % similar
2′-Hydroxyacetophenone118-93-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.