chempirical

trans-1,2-Dibromocyclohexane

C6H10Br2CAS 7429-37-0241.95 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C6H10Br2
Molar mass
241.95 g/mol
Exact mass
239.9149 Da
Density
1.7701 g/mL (at 30 °C)
Melting point
−5 °C
Boiling point
101 °C (at 14 Torr)
logP
3.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
7429-37-0
SMILES
Br[C@H]1CCCC[C@@H]1Br
InChIKey
CZNHKZKWKJNOTE-IOMOGOHMNA-N
InChI
InChI=1/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/s2

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexane, 1,2-dibromo-, (1R,2R)-rel-
  • Cyclohexane, 1,2-dibromo-, trans-
  • Rel-(1R,2R)-1,2-Dibromocyclohexane
  • (±)-trans-1,2-Dibromocyclohexane
  • 1,2-trans-Dibromocyclohexane
  • NSC 92176

Work with trans-1,2-Dibromocyclohexane

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

Hexabromocyclododecane3194-55-667 % similar Bromocyclopentane137-43-947 % similar Bromocyclohexane108-85-044 % similar Bromocyclooctane1556-09-844 % similar Bromocycloheptane2404-35-544 % similar 1,2,3,4-Tetrabromobutane1529-68-638 % similar Bromocyclobutane4399-47-738 % similar cis-Decalin493-01-636 % similar

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

Same formula

1,2-Dibromocyclohexane5401-62-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook