4′-Cyanoacetophenone
Properties
- Molecular formula
- C9H7NO
- Molar mass
- 145.16 g/mol
- Exact mass
- 145.0528 Da
- Melting point
- 57–58 °C
- Boiling point
- 117 °C (at 4 Torr)
- logP
- 1.76Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed95.8% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H319 Causes serious eye irritation12.5% of notifiers
- H332 Harmful if inhaled10.4% of notifiers
- H335 May cause respiratory irritation10.4% of notifiers
Aggregated from 48 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
1443-80-7SMILES
CC(=O)c1ccc(C#N)cc1InChIKey
NLPHXWGWBKZSJC-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- 4'-Cyanoacetophenone
- 4-Acetylbenzonitrile
- Benzonitrile, 4-acetyl-
- Benzonitrile, p-acetyl-
- p-Cyanoacetophenone
- 4-Cyanoacetophenone
- 4-Cyanophenyl methyl ketone
- p-Acetylbenzonitrile
- Methyl p-cyanophenyl ketone
- p-Cyanophenyl methyl ketone
- 1-(4-Cyanophenyl)ethanone
- 1-Acetyl-4-benzonitrile
- Methyl 4-cyanophenyl ketone
Work with 4′-Cyanoacetophenone
Similar compounds
1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-063 % similar
1,4-Diacetylbenzene1009-61-663 % similar
3-Acetylbenzonitrile6136-68-163 % similar
4-Cyanobenzamide3034-34-257 % similar
4,4'-Diacetylbiphenyl787-69-956 % similar
Acetophenone98-86-256 % similar
4-Cyanobenzophenone1503-49-755 % similar
4-Cyanobenzoyl chloride6068-72-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds