3-Chloro-4-methylphenol
Properties
- Molecular formula
- C7H7ClO
- Molar mass
- 142.58 g/mol
- Exact mass
- 142.0185 Da
- Melting point
- 55.5 °C
- Boiling point
- 228 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed98% of notifiers
- H312 Harmful in contact with skin98% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage98% of notifiers
- H332 Harmful if inhaled98% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 49 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
615-62-3SMILES
Cc1ccc(O)cc1ClInChIKey
VQZRLBWPEHFGCD-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Phenol, 3-chloro-4-methyl-
- p-Cresol, 3-chloro-
- 2-Chloro-4-hydroxytoluene
- NSC 157351
Work with 3-Chloro-4-methylphenol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,4-Xylenol95-65-860 % similar
3,4-Dichlorophenol95-77-260 % similar
Chloro-p-xylene95-72-758 % similar
4-Bromo-2-chlorotoluene89794-02-557 % similar
4-Methylresorcinol496-73-156 % similar
Chlorohydroquinone615-67-856 % similar
2,4-Dichlorotoluene95-73-856 % similar
2-Chloro-4-iodo-1-methylbenzene83846-48-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.