1-Bromo-2-ethylbutane

C₆H₁₃BrCAS 3814-34-4165.07 g/mol

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Properties

Molecular formula: C₆H₁₃Br
Molar mass: 165.07 g/mol
Exact mass: 164.0201 Da
Boiling point: 143–144 °C (at 762 Torr)
logP: 2.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

3814-34-4

SMILES

CCC(CC)CBr

InChIKey

KKGUMGWNFARLSL-UHFFFAOYSA-N

InChI

InChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3

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Names and synonyms

5 names

Pentane, 3-(bromomethyl)-
3-(Bromomethyl)pentane
Butane, 1-bromo-2-ethyl-
2-Ethylbutyl bromide
2-Ethyl-1-bromobutane

Work with 1-Bromo-2-ethylbutane

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

2-Ethylhexyl bromide18908-66-259 % similar 1-Bromo-2-methylbutane10422-35-250 % similar 1,2-Dibromobutane533-98-250 % similar (2S)-1-Bromo-2-methylbutane534-00-950 % similar (Bromomethyl)cyclopropane7051-34-547 % similar Ethylcyclopentane1640-89-742 % similar (Bromomethyl)cyclobutane17247-58-442 % similar (Bromomethyl)cyclopentane3814-30-042 % similar

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

Same formula

1-Bromohexane111-25-1 1-Bromo-3,3-dimethylbutane1647-23-0 2-Bromohexane3377-86-4 3-Bromohexane3377-87-5 1-Bromo-4-methylpentane626-88-0

Elsewhere

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