4-Biphenylacetonitrile
Properties
- Molecular formula
- C14H11N
- Molar mass
- 193.25 g/mol
- Exact mass
- 193.0891 Da
- logP
- 3.42Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed14.9% of notifiers
- H312 Harmful in contact with skin10.6% of notifiers
- H315 Causes skin irritation91.5% of notifiers
- H319 Causes serious eye irritation91.5% of notifiers
- H335 May cause respiratory irritation89.4% of notifiers
Aggregated from 47 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
31603-77-7SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CC#NInChIKey
HSZCNGTZJWZAMF-UHFFFAOYSA-NInChI
InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Biphenylacetonitrile
Similar compounds
Benzyl cyanide140-29-473 % similar
1,4-Benzenediacetonitrile622-75-371 % similar
4-Benzylphenylacetonitrile101096-72-468 % similar
4-Phenoxyphenylacetonitrile92163-15-061 % similar
(4-Chlorophenyl)acetonitrile140-53-456 % similar
4-Hydroxybenzyl cyanide14191-95-856 % similar
(4-Bromophenyl)acetonitrile16532-79-956 % similar
4-Methylphenylacetonitrile2947-61-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.