1-(3-Bromophenyl)ethanol

C8H9BrOCAS 52780-14-0201.06 g/mol

Open in Covalent MOL file
HOBr
AlcoholAryl halide

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Density
1.4697 g/mL (at 20 °C)
Boiling point
136–140 °C (at 20 Torr)
logP
2.50Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
52780-14-0
SMILES
CC(O)c1cccc(Br)c1
InChIKey
ULMJQMDYAOJNCC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanol, 3-bromo-α-methyl-
  • Benzyl alcohol, m-bromo-α-methyl-
  • 3-Bromo-α-methylbenzenemethanol
  • 3-Bromophenylmethylcarbinol
  • NSC 143363
  • m-Bromo-α-methylbenzyl alcohol
  • 1-(3-Bromophenyl)ethan-1-ol

Work with 1-(3-Bromophenyl)ethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-1-(3-Bromophenyl)ethanol134615-24-0Defined stereoisomer (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8Defined stereoisomer

Similar compounds

3-Bromocumene5433-01-262 % similar 1-(4-Bromophenyl)ethanol5391-88-859 % similar (R)-4-Bromo-alpha-methylbenzyl alcohol76155-78-759 % similar (1R)-1-(3-Chlorophenyl)ethanol120121-01-958 % similar (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-558 % similar 3-Fluoro-alpha-methylbenzenemethanol402-63-158 % similar 3-Chloro-α-methylbenzenemethanol6939-95-358 % similar (S)-1-(3-Bromophenyl)ethylamine139305-96-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook