chempirical

4-Chlorocatechol

C6H5ClO2CAS 2138-22-9144.55 g/mol

Open in Covalent MOL file
HOClHO
Aryl halidePhenol

Properties

Molecular formula
C6H5ClO2
Molar mass
144.55 g/mol
Exact mass
143.9978 Da
Melting point
90.5 °C
Boiling point
136–136.5 °C (at 8.5 Torr)
logP
1.75Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
2138-22-9
SMILES
Oc1ccc(Cl)cc1O
InChIKey
WWOBYPKUYODHDG-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,2-Benzenediol, 4-chloro-
  • Pyrocatechol, 4-chloro-
  • 4-Chloro-1,2-benzenediol
  • 4-Chloropyrocatechol
  • 4-Chloro-1,2-dihydroxybenzene

Work with 4-Chlorocatechol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichlorophenol120-83-265 % similar 2,5-Dichlorophenol583-78-865 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-660 % similar 2-Bromo-5-chlorophenol13659-23-960 % similar 4-Chloro-2-methylphenol1570-64-560 % similar 2-Amino-5-chlorophenol28443-50-760 % similar 4-Chloro-2-fluorophenol348-62-960 % similar 5-Chloro-2-methylphenol5306-98-960 % similar

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

Same formula

5-Methylfuran-2-carbonyl chloride14003-11-3 Chlorohydroquinone615-67-8 2-Chlororesorcinol6201-65-6 4-Chlororesorcinol95-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook