1-Bromo-2-phenylpropane

C₉H₁₁BrCAS 1459-00-3199.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁Br
Molar mass: 199.09 g/mol
Exact mass: 198.0044 Da
Density: 1.373 g/mL (at 14 °C)
Melting point: −59.3 °C
Boiling point: 188.5 °C
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

1459-00-3

SMILES

CC(CBr)c1ccccc1

InChIKey

XJWVCWQKZQENDS-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

Weigh it out

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

Names and synonyms

9 names

Benzene, (2-bromo-1-methylethyl)-
Cumene, β-bromo-
(2-Bromo-1-methylethyl)benzene
2-Phenylpropyl bromide
β-Bromoisopropylbenzene
2-Methyl-2-phenylethyl bromide
NSC 43688
(1-Bromopropan-2-yl)benzene
1-Bromopropan-2-ylbenzene

Work with 1-Bromo-2-phenylpropane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

sec-Butylbenzene135-98-858 % similar 2-Phenyl-1-propanol1123-85-956 % similar (2S)-2-Phenylpropan-1-amine17596-79-156 % similar (R)-2-Phenyl-1-propylamine28163-64-656 % similar 2-Phenylpropanol37778-99-756 % similar (±)-2-Phenylpropylamine582-22-956 % similar 2-Phenyl-1-propanol98103-87-856 % similar (1,2-Dibromoethyl)benzene93-52-754 % similar

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

Same formula

2-Bromo-1-phenylpropane2114-39-8 3,5-Dimethylbenzyl bromide27129-86-8 3-Bromocumene5433-01-2 1-Bromo-2,4,5-trimethylbenzene5469-19-2 Mesityl bromide576-83-0 1-Bromo-4-isopropylbenzene586-61-8 1-Bromo-4-propylbenzene588-93-2 1-Bromo-3-phenylpropane637-59-2

Elsewhere

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