1-(4-Bromophenyl)ethanol

C₈H₉BrOCAS 5391-88-8201.06 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
Density: 1.463 g/mL (at 20 °C)
Melting point: 20–30 °C
Boiling point: 127–128 °C (at 11 Torr)
logP: 2.50Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.8% of notifiers
H312 Harmful in contact with skin89.8% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled87.8% of notifiers
H335 May cause respiratory irritation93.9% of notifiers

Aggregated from 49 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

5391-88-8

SMILES

CC(O)c1ccc(Br)cc1

InChIKey

XTDTYSBVMBQIBT-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

13 names · show all

Benzenemethanol, 4-bromo-α-methyl-
Benzyl alcohol, p-bromo-α-methyl-
4-Bromo-α-methylbenzenemethanol
p-Bromo-α-methylbenzyl alcohol
(4-Bromophenyl)methylcarbinol
1-(p-Bromophenyl)ethanol
4-(1-Hydroxyethyl)bromobenzene
p-Bromophenyl methyl carbinol
4-Bromo-α-methylbenzyl alcohol
(±)-1-(4-Bromophenyl)ethanol
NSC 3223
(±)-1-(p-Bromophenyl)ethanol
1-(4-Bromophenyl)ethan-1-ol

Work with 1-(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

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.

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1Defined stereoisomer (R)-4-Bromo-alpha-methylbenzyl alcohol76155-78-7Defined stereoisomer

Similar compounds

1-(4-Hydroxyphenyl)ethanol2380-91-864 % similar 1-(3-Bromophenyl)ethanol52780-14-059 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-558 % similar 1-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar 1-Bromo-4-isopropylbenzene586-61-856 % similar 1-Phenylethanol98-85-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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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