chempirical

2-(4-Bromophenyl)ethanol

C8H9BrOCAS 4654-39-1201.06 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
1.4845 g/mL (at 16.5 °C)
Melting point
36–38 °C
Boiling point
144.5–145 °C (at 15 Torr)
logP
1.98Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
4654-39-1
SMILES
OCCc1ccc(Br)cc1
InChIKey
PMOSJSPFNDUAFY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2

Weigh it out

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

Names and synonyms

9 names
  • Benzeneethanol, 4-bromo-
  • Phenethyl alcohol, p-bromo-
  • 4-Bromobenzeneethanol
  • 4-Bromophenethyl alcohol
  • p-Bromophenethyl alcohol
  • 2-(p-Bromophenyl)ethanol
  • 4-(2-Hydroxyethyl)-1-bromobenzene
  • 4-Bromophenethanol
  • 2-(4-Bromophenyl)ethan-1-ol

Work with 2-(4-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

Similar compounds

3-(4-Bromophenyl)propan-1-ol25574-11-274 % similar Tyrosol501-94-061 % similar 4-Bromobenzyl alcohol873-75-661 % similar 3-Bromophenethyl alcohol28229-69-859 % similar Phenethyl alcohol60-12-852 % similar 2-(4-Aminophenyl)ethanol104-10-952 % similar 4-Chlorobenzeneethanol1875-88-352 % similar 1-Benzyl-4-bromobenzene2116-36-152 % 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 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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