2-Chloro-4-methylphenol
Properties
- Molecular formula
- C7H7ClO
- Molar mass
- 142.58 g/mol
- Exact mass
- 142.0185 Da
- Melting point
- 193–195 °C
- Boiling point
- 195.5 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation93.5% of notifiers
- H319 Causes serious eye irritation93.5% of notifiers
- H335 May cause respiratory irritation91.3% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6640-27-3SMILES
Cc1ccc(O)c(Cl)c1InChIKey
AQJFATAFTQCRGC-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Phenol, 2-chloro-4-methyl-
- p-Cresol, 2-chloro-
- 2-Chloro-p-cresol
- 3-Chloro-4-hydroxytoluene
- NSC 48848
Work with 2-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
4-Methylcatechol452-86-863 % similar
2-Bromo-4-methylphenol6627-55-059 % similar
3,4-Dichlorotoluene95-75-058 % similar
2,4-Dimethylphenol105-67-958 % similar
2,4-Dichlorophenol120-83-258 % similar
Chlorohydroquinone615-67-858 % similar
4-Bromo-2-chlorophenol3964-56-556 % similar
4-Bromo-3-chlorotoluene6627-51-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.