β-Phenylbenzenepropanenitrile
Properties
- Molecular formula
- C15H13N
- Molar mass
- 207.28 g/mol
- Exact mass
- 207.1048 Da
- Melting point
- 88.5 °C
- Boiling point
- 175–178 °C (at 2 Torr)
- logP
- 3.73Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation71.4% of notifiers
Aggregated from 7 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
2286-54-6SMILES
N#CCC(c1ccccc1)c1ccccc1InChIKey
INERKLNEVAZSCI-UHFFFAOYSA-NInChI
InChI=1S/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenepropanenitrile, β-phenyl-
- Propionitrile, 3,3-diphenyl-
- 3,3-Diphenylpropionitrile
- 3,3-Diphenylpropanenitrile
- 3,3-Diphenylpropiononitrile
Work with β-Phenylbenzenepropanenitrile
Similar compounds
1,1-Diphenylpropane1530-03-646 % similar
2,2-Diphenylethylamine3963-62-046 % similar
γ-Phenylbenzenepropanol20017-67-843 % similar
3,3-Diphenylpropyl bromide20017-68-943 % similar
3,3-Diphenylpropylamine5586-73-243 % similar
Benzyl cyanide140-29-442 % similar
2,3-Diphenylbutanedinitrile15146-07-342 % similar
Diphenylacetonitrile86-29-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.