chempirical

4-Bromobenzyl alcohol

C7H7BrOCAS 873-75-6187.04 g/mol

Open in Covalent MOL file
HOBr
AlcoholAryl halide

Properties

Molecular formula
C7H7BrO
Molar mass
187.04 g/mol
Exact mass
185.9680 Da
Melting point
76.5–77 °C
Boiling point
125–140 °C (at 11 Torr)
logP
1.94Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
873-75-6
SMILES
OCc1ccc(Br)cc1
InChIKey
VEDDBHYQWFOITD-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrO/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

9 names
  • Benzenemethanol, 4-bromo-
  • Benzyl alcohol, p-bromo-
  • 4-Bromobenzenemethanol
  • p-Bromobenzyl alcohol
  • (p-Bromophenyl)methanol
  • (4-Bromophenyl)methanol
  • 4-Hydroxymethyl-1-bromobenzene
  • 1-(p-Bromophenyl)methanol
  • 1-Bromo-4-(hydroxymethyl)benzene

Work with 4-Bromobenzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzenedimethanol589-29-767 % similar 2-(4-Bromophenyl)ethanol4654-39-161 % similar Gastrodigenin623-05-259 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl alcohol100-51-650 % similar 1,4-Dibromobenzene106-37-650 % similar 1-Bromo-4-ethylbenzene1585-07-550 % similar 4-Iodobenzyl alcohol18282-51-450 % similar

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

Same formula

4-Bromoanisole104-92-7 2-Bromo-6-methylphenol13319-71-6 4-Bromo-3-methylphenol14472-14-1 3-Bromobenzenemethanol15852-73-0 2-Bromobenzyl alcohol18982-54-2 4-Bromo-2-methylphenol2362-12-1 3-Bromoanisole2398-37-0 2-Bromoanisole578-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook