1,4-Dibromo-2-butanol

C₄H₈Br₂OCAS 19398-47-1231.91 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₈Br₂O
Molar mass: 231.91 g/mol
Exact mass: 229.8942 Da
Density: 1.96 g/mL (at 20 °C)
Boiling point: 114–115 °C (at 13 Torr)
logP: 1.53Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

19398-47-1

SMILES

OC(CBr)CCBr

InChIKey

PSSRAPMBSMSACN-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2

Weigh it out

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

Names and synonyms

4 names

2-Butanol, 1,4-dibromo-
2-Hydroxy-1,4-dibromobutane
ω,ω′-Dibromobutan-2-ol
NSC 84192

Work with 1,4-Dibromo-2-butanol

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

Cyclopropanol16545-68-937 % similar 1,4-Cyclohexanediol556-48-937 % similar trans-1,4-Cyclohexanediol6995-79-537 % similar 1-Bromo-3-methylbutane107-82-435 % similar 1,5-Dibromo-3-methylpentane4457-72-135 % similar 2-Cyclohexylethyl bromide1647-26-333 % similar 1-Bromo-2-propanol19686-73-833 % similar Cyclobutanol2919-23-533 % similar

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

Same formula

2-Bromoethyl ether5414-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook