chempirical

4-Chlorobenzyl alcohol

C7H7ClOCAS 873-76-7142.58 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
75 °C
Boiling point
235 °C
logP
1.83Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
873-76-7
SMILES
OCc1ccc(Cl)cc1
InChIKey
PTHGDVCPCZKZKR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanol, 4-chloro-
  • Benzyl alcohol, p-chloro-
  • 4-Chlorobenzenemethanol
  • p-Chlorobenzyl alcohol
  • p-Chlorotoluol
  • 4-Chlorophenylmethanol
  • NSC 5286
  • 1-Chloro-4-(hydroxymethyl)benzene

Work with 4-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

1,4-Benzenedimethanol589-29-767 % similar 4-Chlorobenzeneethanol1875-88-361 % similar 3,5-Dichlorobenzyl alcohol60211-57-657 % similar 3-Chlorobenzyl alcohol873-63-256 % similar 4-Chlorobenzyl chloride104-83-652 % similar Gastrodigenin623-05-252 % similar Benzyl alcohol100-51-650 % similar 4-Chloro-N-methylbenzenemethanamine104-11-050 % 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