3-Hydroxy-4-methoxybenzonitrile
Properties
- Molecular formula
- C8H7NO2
- Molar mass
- 149.15 g/mol
- Exact mass
- 149.0477 Da
- Melting point
- 124 °C
- logP
- 1.27Crippen estimate
- Polar surface area
- 53.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 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, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
52805-46-6SMILES
COc1ccc(C#N)cc1OInChIKey
ASQHIJLQYYFUDN-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzonitrile, 3-hydroxy-4-methoxy-
- 2-Methoxy-5-cyanophenol
- 5-Cyano-2-methoxyphenol
Work with 3-Hydroxy-4-methoxybenzonitrile
Similar compounds
4-Hydroxy-3-methoxybenzonitrile4421-08-375 % similar
3,4-Dimethoxybenzonitrile2024-83-170 % similar
3-Chloro-4-methoxybenzonitrile102151-33-760 % similar
3-Bromo-4-methoxybenzonitrile117572-79-960 % similar
3-Fluoro-4-methoxybenzonitrile331-62-460 % similar
3,4-Dihydroxybenzonitrile17345-61-858 % similar
3-Methoxy-4-methylbenzonitrile3556-60-357 % similar
3-Ethoxy-4-methoxybenzonitrile60758-86-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.