4-Hydroxy-3-methoxybenzonitrile
Properties
- Molecular formula
- C8H7NO2
- Molar mass
- 149.15 g/mol
- Exact mass
- 149.0477 Da
- Melting point
- 86 °C
- logP
- 1.27Crippen estimate
- Polar surface area
- 53.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
4421-08-3SMILES
COc1cc(C#N)ccc1OInChIKey
QJRWLNLUIAJTAD-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzonitrile, 4-hydroxy-3-methoxy-
- Vanillonitrile
- 3-Methoxy-4-hydroxybenzonitrile
- 4-Cyano-2-methoxyphenol
- 2-Methoxy-4-cyanophenol
- NSC 158285
Work with 4-Hydroxy-3-methoxybenzonitrile
Similar compounds
3-Hydroxy-4-methoxybenzonitrile52805-46-675 % similar
3,4-Dimethoxybenzonitrile2024-83-170 % similar
3-Methoxy-4-methylbenzonitrile3556-60-362 % similar
4-Fluoro-3-methoxybenzonitrile243128-37-260 % similar
4-Formyl-3-methoxybenzonitrile21962-45-859 % similar
2-Methoxybenzene-1,4-diol824-46-459 % similar
3,4-Dihydroxybenzonitrile17345-61-858 % similar
3-Ethoxy-4-methoxybenzonitrile60758-86-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.