3-Chlorophenol
Properties
- Molecular formula
- C6H5ClO
- Molar mass
- 128.56 g/mol
- Exact mass
- 128.0029 Da
- Density
- 1.268 g/mL (at 25 °C)
- Melting point
- 32.6 °C
- Boiling point
- 214 °C
- pKa
- 9.12 (25 °C)
- Flash point
- 112 °C (closed cup)
- Water solubility
- 26 g/L (20 °C)
- logP
- 2.05Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 604-008-00-0[3]), via PubChem.
Precautionary statements
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P501
Identifiers
CAS number
108-43-0SMILES
Oc1cccc(Cl)c1InChIKey
HORNXRXVQWOLPJ-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Phenol, 3-chloro-
- Phenol, m-chloro-
- m-Chlorophenol
- 3-Hydroxychlorobenzene
- m-Chlorophenic acid
- NSC 59700
Work with 3-Chlorophenol
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
Resorcinol108-46-363 % similar
1,3-Dichlorobenzene541-73-158 % similar
3,5-Dichlorophenol591-35-557 % similar
3,3'-Biphenyldiol612-76-055 % similar
3-Fluorophenol372-20-350 % similar
3-(Dimethylamino)phenol99-07-048 % similar
M-Cresol108-39-448 % similar
3-[(3-Hydroxyphenyl)disulfanyl]phenol21101-56-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.