1-Bromo-8-phenyloctane

C₁₄H₂₁BrCAS 54646-75-2269.23 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₄H₂₁Br
Molar mass: 269.23 g/mol
Exact mass: 268.0827 Da
logP: 4.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

54646-75-2

SMILES

C1=CC=C(C=C1)CCCCCCCCBr

InChIKey

XGBMCFCZEKCCDJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H21Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2

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Names and synonyms

1 names

(8-Bromooctyl)benzene

Work with 1-Bromo-8-phenyloctane

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

1-Bromo-5-phenylpentane14469-83-1100 % similar 1-Bromo-6-phenylhexane27976-27-8100 % similar 1-Bromo-7-phenylheptane78573-85-0100 % similar 1-Bromo-10-phenyldecane85562-26-1100 % similar 1-Bromo-4-phenylbutane13633-25-595 % similar 1-Bromo-3-phenylpropane637-59-280 % similar 2-Phenylethyl bromide103-63-967 % similar Benzyl 4-bromobutyl ether60789-54-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-9 1-(4-Bromophenyl)octane51554-93-9

Elsewhere

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