3-(Hydroxymethyl)benzonitrile
Properties
- Molecular formula
- C8H7NO
- Molar mass
- 133.15 g/mol
- Exact mass
- 133.0528 Da
- Boiling point
- 109–110 °C (at 0.1 Torr)
- logP
- 1.05Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
874-97-5SMILES
N#Cc1cccc(CO)c1InChIKey
PCOFIIVWHXIDGT-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzonitrile, 3-(hydroxymethyl)-
- m-Tolunitrile, α-hydroxy-
- m-Cyanobenzyl alcohol
- 3-Cyanobenzyl alcohol
- 3-Cyanobenzenemethanol
Work with 3-(Hydroxymethyl)benzonitrile
Similar compounds
3-Cyanobenzyl bromide28188-41-263 % similar
3-Ethylbenzonitrile34136-57-763 % similar
3-(Chloromethyl)benzonitrile64407-07-463 % similar
Isophthalonitrile626-17-560 % similar
1,3-Benzenedimethanol626-18-660 % similar
3-Cyanobenzeneacetic acid1878-71-357 % similar
4-(Hydroxymethyl)benzonitrile874-89-557 % similar
3-Hydroxybenzyl alcohol620-24-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.