chempirical

3-Chlorobenzyl alcohol

C7H7ClOCAS 873-63-2142.58 g/mol

Open in Covalent MOL file
HOCl
AlcoholAryl halide

Properties

Molecular formula
C7H7ClO
Molar mass
142.58 g/mol
Exact mass
142.0185 Da
Melting point
236 °C
Boiling point
237 °C
logP
1.83Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
873-63-2
SMILES
OCc1cccc(Cl)c1
InChIKey
ZSRDNPVYGSFUMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanol, 3-chloro-
  • Benzyl alcohol, m-chloro-
  • 3-Chlorobenzenemethanol
  • m-Chlorobenzyl alcohol
  • (3-Chlorophenyl)methanol

Work with 3-Chlorobenzyl alcohol

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

1,3-Benzenedimethanol626-18-668 % similar 2-(3-Chlorophenyl)ethanol5182-44-563 % similar 3,5-Dichlorobenzyl alcohol60211-57-663 % similar 3-Chlorobenzyl chloride620-20-258 % similar 4-Chlorobenzyl alcohol873-76-756 % similar 3-Chlorobenzylamine4152-90-356 % similar 3-Fluorobenzyl alcohol456-47-356 % similar 3-Hydroxybenzyl alcohol620-24-656 % similar

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

Same formula

4-Chloro-2-methylphenol1570-64-5 2-Chlorobenzyl alcohol17849-38-6 3-Chloroanisole2845-89-8 3-Chloro-2-methylphenol3260-87-5 5-Chloro-2-methylphenol5306-98-9 P-Chlorocresol59-50-7 3-Chloro-4-methylphenol615-62-3 2-Chloro-5-methylphenol615-74-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook