2-Bromohexane

C₆H₁₃BrCAS 3377-86-4165.07 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₁₃Br
Molar mass: 165.07 g/mol
Exact mass: 164.0201 Da
Density: 1.1564 g/mL (at 20 °C)
Boiling point: 144 °C
logP: 2.96Crippen 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
H315 Causes skin irritation63.2% of notifiers
H319 Causes serious eye irritation63.2% of notifiers
H335 May cause respiratory irritation63.2% of notifiers

Aggregated from 19 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3377-86-4

SMILES

CCCCC(C)Br

InChIKey

NEBYCXAKZCQWAW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Hexane, 2-bromo-
2-Hexyl bromide
(±)-2-Bromohexane
1-Methylpentan-1-yl bromide

Work with 2-Bromohexane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromoheptane1974-04-585 % similar sec-Octyl bromide557-35-781 % similar 2-Bromopentane107-81-370 % similar 2,5-Dibromohexane24774-58-158 % similar 1,4-Dibromopentane626-87-957 % similar 2-Methylhexane31394-54-450 % similar 2-Methylhexane591-76-450 % similar 3-Bromoheptane1974-05-648 % 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 3-Bromohexane3377-87-5 1-Bromo-2-ethylbutane3814-34-4 1-Bromo-4-methylpentane626-88-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia