chempirical

4-Chlorophenol

C6H5ClOCAS 106-48-9128.56 g/mol

Open in Covalent MOL file
HOCl
Aryl halidePhenol

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
logP
2.05Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
106-48-9
SMILES
Oc1ccc(Cl)cc1
InChIKey
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Weigh it out

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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-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'-Biphenol92-88-650 % similar 5-Chloro-2(1H)-pyridinone4214-79-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chlorophenol108-43-0 2-Chlorophenol95-57-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia