1-Bromo-3-phenylpropane

C₉H₁₁BrCAS 637-59-2199.09 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₉H₁₁Br
Molar mass: 199.09 g/mol
Exact mass: 198.0044 Da
Density: 1.3106 g/mL (at 25 °C)
Melting point: 95.7–96.8 °C
Boiling point: 219.5 °C
logP: 3.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed52.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation40.8% of notifiers

Aggregated from 76 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

637-59-2

SMILES

BrCCCc1ccccc1

InChIKey

XMZQWZJMTBCUFT-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

Weigh it out

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

Names and synonyms

8 names

Benzene, (3-bromopropyl)-
(3-Bromopropyl)benzene
(γ-Bromopropyl)benzene
3-Phenylpropyl bromide
3-Bromo-1-phenylpropane
1-Phenyl-3-bromopropane
3-Phenyl-1-bromopropane
NSC 133438

Work with 1-Bromo-3-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

1-Bromo-4-phenylbutane13633-25-584 % similar 1-Bromo-5-phenylpentane14469-83-180 % similar 1-Bromo-6-phenylhexane27976-27-880 % similar 1-Bromo-8-phenyloctane54646-75-280 % similar 1-Bromo-7-phenylheptane78573-85-080 % similar 1-Bromo-10-phenyldecane85562-26-180 % similar 2-Phenylethyl bromide103-63-974 % similar 1,3-Diphenylpropane1081-75-061 % similar

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

Same formula

1-Bromo-2-phenylpropane1459-00-3 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

Elsewhere

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