1-Bromohexane

C₆H₁₃BrCAS 111-25-1165.07 g/mol

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Alkyl halide

Properties

Molecular formula: C₆H₁₃Br
Molar mass: 165.07 g/mol
Exact mass: 164.0201 Da
Density: 1.1852 g/mL (at 19 °C)
Melting point: −84.7 °C
Boiling point: 155.3 °C
logP: 2.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor99.5% of notifiers
H315 Causes skin irritation97% of notifiers
H319 Causes serious eye irritation41.6% of notifiers
H335 May cause respiratory irritation94.1% of notifiers
H411 Toxic to aquatic life with long lasting effects74.8% of notifiers

Aggregated from 202 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, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

111-25-1

SMILES

CCCCCCBr

InChIKey

MNDIARAMWBIKFW-UHFFFAOYSA-N

InChI

InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3

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

Names and synonyms

6 names

Hexane, 1-bromo-
Hexyl bromide
n-Hexyl bromide
1-Hexylbromide
1-Hexane bromide
NSC 71206

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 111-25-1. Each row opens the sheet with its composition and PDF.

1-Bromohexane 99 %Fisher Scientific · 2025-12-18

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Work with 1-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

1-Bromooctane111-83-1100 % similar 1-Bromodecane112-29-8100 % similar 1-Bromotetradecane112-71-0100 % similar 1-Bromohexadecane112-82-3100 % similar 1-Bromooctadecane112-89-0100 % similar 1-Bromododecane143-15-7100 % similar 1-Bromoheptadecane3508-00-7100 % similar 1-Bromoeicosane4276-49-7100 % similar

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

Same formula

1-Bromo-3,3-dimethylbutane1647-23-0 2-Bromohexane3377-86-4 3-Bromohexane3377-87-5 1-Bromo-2-ethylbutane3814-34-4 1-Bromo-4-methylpentane626-88-0

Elsewhere

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