3-Bromophenethyl alcohol

C₈H₉BrOCAS 28229-69-8201.06 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
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
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

28229-69-8

SMILES

C1=CC(=CC(=C1)Br)CCO

InChIKey

PTTFLKHCSZSFOL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-(3-Bromophenyl)ethan-1-ol

Work with 3-Bromophenethyl 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

3-Bromobenzenemethanol15852-73-064 % similar 3-Bromophenethylamine58971-11-260 % similar 2-(4-Bromophenyl)ethanol4654-39-159 % similar 3-Hydroxybenzeneethanol13398-94-257 % similar 2-(3-Chlorophenyl)ethanol5182-44-557 % similar 3-Fluorophenethyl alcohol52059-53-757 % similar 2-(3-Aminophenyl)ethanol52273-77-557 % similar 3-Bromobenzyl bromide823-78-955 % 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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