4-Benzyloxyphenylacetonitrile
Properties
- Molecular formula
- C15H13NO
- Molar mass
- 223.28 g/mol
- Exact mass
- 223.0997 Da
- Melting point
- 68.5–69 °C
- Boiling point
- 170–173 °C (at 0.125 Torr)
- logP
- 3.33Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed13.3% of notifiers
- H312 Harmful in contact with skin11.1% of notifiers
- H315 Causes skin irritation88.9% of notifiers
- H318 Causes serious eye damage86.7% of notifiers
- H400 Very toxic to aquatic life86.7% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, P501
Identifiers
CAS number
838-96-0SMILES
N#CCc1ccc(OCc2ccccc2)cc1InChIKey
QKEYZRVDFZDOEP-UHFFFAOYSA-NInChI
InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4-(Phenylmethoxy)benzeneacetonitrile
- Benzeneacetonitrile, 4-(phenylmethoxy)-
- Acetonitrile, [p-(benzyloxy)phenyl]-
- p-(Benzyloxy)benzyl cyanide
- 4-(Benzyloxy)phenylacetonitrile
- 1-[4-(Benzyloxy)phenyl]acetonitrile
- 2-[4-(Benzyloxy)phenyl]acetonitrile
- 2-(4-Phenylmethoxyphenyl)acetonitrile
Work with 4-Benzyloxyphenylacetonitrile
Similar compounds
Hydroquinone dibenzyl ether621-91-067 % similar
4-Phenoxyphenylacetonitrile92163-15-065 % similar
Benzyl cyanide140-29-463 % similar
Benzyl phenyl ether946-80-561 % similar
4-Benzyloxybenzonitrile52805-36-461 % similar
2-(4-Ethoxyphenyl)acetonitrile6775-77-561 % similar
4-Benzylphenylacetonitrile101096-72-460 % similar
4-Benzyloxybenzyl chloride836-42-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.