1-Bromo-4-phenylbutane

C₁₀H₁₃BrCAS 13633-25-5213.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃Br
Molar mass: 213.12 g/mol
Exact mass: 212.0201 Da
logP: 3.40Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 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

13633-25-5

SMILES

C1=CC=C(C=C1)CCCCBr

InChIKey

XPBQQAHIVODAIC-UHFFFAOYSA-N

InChI

InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Weigh it out

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

Work with 1-Bromo-4-phenylbutane

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-phenylpentane14469-83-195 % similar 1-Bromo-6-phenylhexane27976-27-895 % similar 1-Bromo-8-phenyloctane54646-75-295 % similar 1-Bromo-7-phenylheptane78573-85-095 % similar 1-Bromo-10-phenyldecane85562-26-195 % similar 1-Bromo-3-phenylpropane637-59-284 % similar 2-Phenylethyl bromide103-63-970 % similar Benzyl 4-bromobutyl ether60789-54-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-1,2,4,5-tetramethylbenzene1646-53-3 1-Bromo-4-(2-methylpropyl)benzene2051-99-2 1-Bromo-3-tert-butylbenzene3972-64-3 1-Bromo-4-tert-butylbenzene3972-65-4 1-Bromo-4-butylbenzene41492-05-1

Elsewhere

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