1-Bromo-5-phenylpentane

C₁₁H₁₅BrCAS 14469-83-1227.14 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₁H₁₅Br
Molar mass: 227.14 g/mol
Exact mass: 226.0357 Da
logP: 3.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

14469-83-1

SMILES

C1=CC=C(C=C1)CCCCCBr

InChIKey

QICUPOFVENZWSC-UHFFFAOYSA-N

InChI

InChI=1S/C11H15Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

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

Names and synonyms

1 names

(5-Bromopentyl)benzene

Work with 1-Bromo-5-phenylpentane

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-6-phenylhexane27976-27-8100 % 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

4-tert-Butylbenzyl bromide18880-00-7 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-2 1-Bromo-4-pentylbenzene51554-95-1

Elsewhere

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