2,5-Dibromohexane

C₆H₁₂Br₂CAS 24774-58-1243.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂Br₂
Molar mass: 243.97 g/mol
Exact mass: 241.9306 Da
Melting point: 39.1–39.4 °C
Boiling point: 205–211 °C
logP: 3.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

24774-58-1

SMILES

CC(Br)CCC(C)Br

InChIKey

MQYLGFBWOZXHHF-UHFFFAOYSA-N

InChI

InChI=1S/C6H12Br2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3

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Names and synonyms

1 names

Hexane, 2,5-dibromo-

Work with 2,5-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

1,3-Dibromobutane107-80-265 % similar 2-Bromopentane107-81-365 % similar 2,4-Dibromopentane19398-53-960 % similar 2-Bromohexane3377-86-458 % similar 1,4-Dibromopentane626-87-958 % similar 2-Bromoheptane1974-04-555 % similar 1,2-Dibromopropane78-75-153 % similar 2-Bromobutane78-76-253 % similar

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

Same formula

1,5-Dibromo-3-methylpentane4457-72-1 1,6-Dibromohexane629-03-8

Elsewhere

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