4-Chlorophenol
Properties
- Molecular formula
- C6H5ClO
- Molar mass
- 128.56 g/mol
- Exact mass
- 128.0029 Da
- Density
- 1.2238 g/mL (at 78 °C)
- Melting point
- 42.7 °C
- Boiling point
- 220 °C
- pKa
- 9.41
- Flash point
- 121 °C (closed cup)
- Water solubility
- 27 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[2]), 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
106-48-9SMILES
Oc1ccc(Cl)cc1InChIKey
WXNZTHHGJRFXKQ-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 4-chloro-
- Phenol, p-chloro-
- p-Chlorophenol
- 4-Hydroxychlorobenzene
- Applied 3-78
- p-Chlorophenic acid
- NSC 2877
- 4-CP
Work with 4-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
4-(4-Chlorophenoxy)phenol21567-18-071 % similar
4-Chloro-4′-hydroxybenzophenone42019-78-363 % similar
1,4-Dichlorobenzene106-46-760 % similar
Hydroquinone123-31-960 % similar
1-Bromo-4-chlorobenzene106-39-850 % similar
4,4′-Dichlorobiphenyl2050-68-250 % similar
3,5-Dichlorophenol591-35-550 % similar
4,4′-Dihydroxybiphenyl92-88-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.