1-Bromo-6-phenylhexane

C₁₂H₁₇BrCAS 27976-27-8241.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇Br
Molar mass: 241.17 g/mol
Exact mass: 240.0514 Da
logP: 4.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27976-27-8

SMILES

C1=CC=C(C=C1)CCCCCCBr

InChIKey

RAOLIGFNQJMMKW-UHFFFAOYSA-N

InChI

InChI=1S/C12H17Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2

Weigh it out

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

Names and synonyms

1 names

(6-Bromohexyl)benzene

Work with 1-Bromo-6-phenylhexane

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-8-phenyloctane54646-75-2100 % 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-(4-Bromophenyl)hexane23703-22-2

Elsewhere

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