1-Bromo-6-chlorohexane

C₆H₁₂BrClCAS 6294-17-3199.52 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂BrCl
Molar mass: 199.52 g/mol
Exact mass: 197.9811 Da
Boiling point: 109–110 °C (at 2 Torr)
logP: 3.18Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

6294-17-3

SMILES

ClCCCCCCBr

InChIKey

JTYUIAOHIYZBPB-UHFFFAOYSA-N

InChI

InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2

Weigh it out

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

Names and synonyms

5 names

Hexane, 1-bromo-6-chloro-
6-Chlorohexyl bromide
1-Chloro-6-bromohexane
6-Bromohexyl chloride
NSC 9249

Work with 1-Bromo-6-chlorohexane

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-chloropentane54512-75-3100 % similar 1-Bromo-4-chlorobutane6940-78-993 % similar 1-Bromo-3-chloropropane109-70-675 % similar 1,5-Dibromopentane111-24-060 % similar 1,11-Dibromoundecane16696-65-460 % similar 1,10-Dichlorodecane2162-98-360 % similar 1,8-Dichlorooctane2162-99-460 % similar 1,6-Dichlorohexane2163-00-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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