(1-Bromoethyl)benzene

C₈H₉BrCAS 585-71-7185.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉Br
Molar mass: 185.06 g/mol
Exact mass: 183.9888 Da
Density: 1.36 g/mL
Melting point: −65 °C
Boiling point: 94 °C (at 16 Torr)
Flash point: 96 °C
logP: 3.14Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

585-71-7

SMILES

CC(Br)c1ccccc1

InChIKey

CRRUGYDDEMGVDY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

15 names · show all

Benzene, (1-bromoethyl)-
α-Phenylethyl bromide
1-Phenylethyl bromide
(α-Bromoethyl)benzene
1-Bromo-1-phenylethane
1-Phenyl-1-bromoethane
α-Methylbenzyl bromide
1-Phenethyl bromide
α-Phenethyl bromide
1-Phenylbromoethane
(±)-(1-Bromoethyl)benzene
(±)-1-Phenylethyl bromide
(±)-1-Bromo-1-phenylethane
NSC 8052
1-(1-Bromoethyl)benzene

Work with (1-Bromoethyl)benzene

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

meso-Stilbene dibromide13440-24-950 % similar 1,1-Diphenylethane612-00-050 % similar Bromodiphenylmethane776-74-950 % similar Cumene98-82-850 % similar 1-Bromo-2-phenylpropane1459-00-344 % similar 1-Phenylethanol13323-81-444 % similar (S)-1-Phenylethanol1445-91-644 % similar (+)-1-Phenylethanol1517-69-744 % similar

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

Same formula

2-Phenylethyl bromide103-63-9 4-Methylbenzyl bromide104-81-4 1-Bromo-4-ethylbenzene1585-07-5 1-Bromo-2-ethylbenzene1973-22-4 1-Bromo-3-ethylbenzene2725-82-8 Bromo-p-xylene553-94-6 5-Bromo-M-xylene556-96-7 2-Bromo-1,3-dimethylbenzene576-22-7

Elsewhere

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