4-(2-Hydroxyethyl)benzonitrile
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- logP
- 1.09Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H302 Harmful if swallowed85.7% of notifiers
- H312 Harmful in contact with skin85.7% of notifiers
- H315 Causes skin irritation42.9% of notifiers
- H319 Causes serious eye irritation42.9% of notifiers
- H332 Harmful if inhaled85.7% of notifiers
- H335 May cause respiratory irritation42.9% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
69395-13-7SMILES
C1=CC(=CC=C1CCO)C#NInChIKey
RBSJBNYPTGMZIH-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(2-Hydroxyethyl)benzonitrile
Similar compounds
4,4'-(1-Methylene) bis-benzonitrile10466-37-270 % similar
4-(Hydroxymethyl)benzonitrile874-89-564 % similar
4-Butylbenzonitrile20651-73-457 % similar
1,4-Dicyanobenzene623-26-757 % similar
4-Cyanobenzylamine10406-25-456 % similar
4-Cyanobenzyl bromide17201-43-356 % similar
4-Ethylbenzonitrile25309-65-356 % similar
4-Cyanobenzyl chloride874-86-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.