2-Bromobenzeneethanol

C₈H₉BrOCAS 1074-16-4201.06 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
Boiling point: 135–137 °C (at 12 Torr)
logP: 1.98Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1074-16-4

SMILES

OCCc1ccccc1Br

InChIKey

ADLOWZRDUHSVRU-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2

Weigh it out

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

Names and synonyms

8 names

Benzeneethanol, 2-bromo-
Phenethyl alcohol, o-bromo-
o-Bromophenethyl alcohol
o-Bromophenylethyl alcohol
2-Bromophenethyl alcohol
2-(2-Bromophenyl)ethanol
2-(2-Hydroxyethyl)bromobenzene
2-(2-Bromophenyl)ethan-1-ol

Work with 2-Bromobenzeneethanol

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-(2-Bromo-phenyl)-propan-1-ol52221-92-876 % similar 2-Bromobenzyl alcohol18982-54-260 % similar 2-Bromophenethylamine65185-58-256 % similar 2-(2-Hydroxyethyl)phenol7768-28-756 % similar 2-Chlorobenzeneethanol19819-95-554 % similar 2-(2-Methylphenyl)ethanol19819-98-854 % similar 2-Fluorophenethyl alcohol50919-06-754 % similar 2-Aminobenzeneethanol5339-85-554 % similar

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 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 2-Bromo-4-methylanisole22002-45-5

Elsewhere

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