4-Hydroxy-3,5-dimethylbenzonitrile
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Melting point
- 105 °C
- logP
- 1.88Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed87% of notifiers
- H302 Harmful if swallowed10.9% of notifiers
- H315 Causes skin irritation13% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation10.9% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4198-90-7SMILES
Cc1cc(C#N)cc(C)c1OInChIKey
WFYGXOWFEIOHCZ-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzonitrile, 4-hydroxy-3,5-dimethyl-
- 2,6-Dimethyl-4-cyanophenol
- 3,5-Dimethyl-4-hydroxybenzonitrile
- 4-Cyano-2,6-dimethylphenol
Work with 4-Hydroxy-3,5-dimethylbenzonitrile
Similar compounds
Ioxynil1689-83-457 % similar
4-Amino-3,5-dimethylbenzonitrile74896-24-557 % similar
4-Bromo-3,5-dimethyl-benzonitrile75344-77-357 % similar
3,4-Dimethylbenzonitrile22884-95-354 % similar
3,3',5,5'-Tetramethylbiphenyl-4,4'-diol2417-04-152 % similar
Bromoxynil1689-84-552 % similar
Chloroxynil1891-95-852 % similar
3,5-Difluoro-4-hydroxy-benzonitrile2967-54-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.