4-Hydroxy-2,6-dimethylbenzonitrile
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Melting point
- 174–175 °C
- logP
- 1.88Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
58537-99-8SMILES
Cc1cc(O)cc(C)c1C#NInChIKey
KZEJTKHRBQWACL-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzonitrile, 4-hydroxy-2,6-dimethyl-
- 4-Cyano-3,5-dimethylphenol
Work with 4-Hydroxy-2,6-dimethylbenzonitrile
Similar compounds
2,4,6-Trimethylbenzonitrile2571-52-062 % similar
5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-553 % similar
2,6-Dimethylbenzonitrile6575-13-952 % similar
Chloroxylenol88-04-052 % similar
2,6-Difluoro-4-hydroxybenzonitrile123843-57-252 % similar
1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-052 % similar
3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-852 % similar
2,6-Dimethylhydroquinone654-42-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.