2-Benzyloxyphenylacetonitrile
Properties
- Molecular formula
- C15H13NO
- Molar mass
- 223.27 g/mol
- Exact mass
- 223.0997 Da
- logP
- 3.33Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed83.3% of notifiers
- H312 Harmful in contact with skin83.3% of notifiers
- H315 Causes skin irritation16.7% of notifiers
- H319 Causes serious eye irritation16.7% of notifiers
- H332 Harmful if inhaled16.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 6 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
92552-22-2SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2CC#NInChIKey
WAQPXLOPRNLIGZ-UHFFFAOYSA-NInChI
InChI=1S/C15H13NO/c16-11-10-14-8-4-5-9-15(14)17-12-13-6-2-1-3-7-13/h1-9H,10,12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Benzyloxyphenylacetonitrile
Similar compounds
4-Benzyloxy-3-indoleacetonitrile1464-11-561 % similar
2-Phenoxyphenylacetonitrile25562-98-559 % similar
4-Benzyloxy-3-methoxyphenylacetonitrile1700-29-457 % similar
4-Benzyloxyphenylacetonitrile838-96-057 % similar
2-Methoxybenzeneacetonitrile7035-03-256 % similar
o-Phenylenediacetonitrile613-23-052 % similar
1,2-Benzenediacetonitrile613-73-052 % similar
2-Triflnoromethoxybenzyl cyanide137218-25-851 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.