2-Chlorophenol
Properties
- Molecular formula
- C6H5ClO
- Molar mass
- 128.56 g/mol
- Exact mass
- 128.0029 Da
- Density
- 1.2634 g/mL (at 20 °C)
- Melting point
- 9.8 °C
- Boiling point
- 174.9 °C
- pKa
- 8.52
- Flash point
- 64 °C (closed cup)
- Water solubility
- 28.5 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[4]), 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
95-57-8SMILES
Oc1ccccc1ClInChIKey
ISPYQTSUDJAMAB-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 2-chloro-
- Phenol, o-chloro-
- o-Chlorophenol
- 2-Hydroxychlorobenzene
- 1-Chloro-2-hydroxybenzene
- o-Chlorophenic acid
- NSC 2870
- NSC 5725
Work with 2-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
2,3-Dichlorophenol576-24-964 % similar
3-Chloro-2-fluorophenol2613-22-158 % similar
3-Chloro-2-methylphenol3260-87-558 % similar
2-Chloro-6-hydroxybenzonitrile89999-90-658 % similar
2-Chloro-4-phenylphenol92-04-658 % similar
Catechol120-80-956 % similar
1,2-Dichlorobenzene95-50-156 % similar
2,5-Dichlorohydroquinone824-69-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.