1,6-Dibromohexane

C6H12Br2CAS 629-03-8243.97 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C6H12Br2
Molar mass
243.97 g/mol
Exact mass
241.9306 Da
Density
1.6041 g/mL (at 20 °C)
Melting point
−2.3 °C
Boiling point
245.5 °C
logP
3.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 127 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number
629-03-8
SMILES
BrCCCCCCBr
InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2

Weigh it out

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

Names and synonyms

5 names
  • Hexane, 1,6-dibromo-
  • 1,6-Dibromo-n-hexane
  • Hexamethylene dibromide
  • α,ω-Dibromohexane
  • NSC 7306

Work with 1,6-Dibromohexane

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

1,5-Dibromopentane111-24-0100 % similar 1,11-Dibromoundecane16696-65-4100 % similar 1,12-Dibromododecane3344-70-5100 % similar 1,10-Dibromodecane4101-68-2100 % similar 1,16-Dibromohexadecane45223-18-5100 % similar 1,7-Dibromoheptane4549-31-9100 % similar 1,8-Dibromooctane4549-32-0100 % similar 1,9-Dibromononane4549-33-1100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dibromohexane24774-58-1 1,5-Dibromo-3-methylpentane4457-72-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook