4-Bromo-1-butanol

C₄H₉BrOCAS 33036-62-3153.02 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₉BrO
Molar mass: 153.02 g/mol
Exact mass: 151.9837 Da
Boiling point: 69–71 °C (at 4.998 Torr)
logP: 1.15Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

33036-62-3

SMILES

OCCCCBr

InChIKey

SIJLYRDVTMMSIP-UHFFFAOYSA-N

InChI

InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2

Weigh it out

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

Names and synonyms

5 names

1-Butanol, 4-bromo-
4-Bromobutanol
4-Bromobutan-1-ol
1-Bromo-4-butanol
1-Bromo-4-hydroxybutane

Work with 4-Bromo-1-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

7-Bromo-1-heptanol10160-24-493 % similar 13-Bromo-1-tridecanol116754-58-693 % similar 11-Bromo-1-undecanol1611-56-993 % similar 12-Bromo-1-dodecanol3344-77-293 % similar 5-Bromo-1-pentanol34626-51-293 % similar 6-Bromo-1-hexanol4286-55-993 % similar 8-Bromo-1-octanol50816-19-893 % similar 10-Bromo-1-decanol53463-68-693 % similar

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

Same formula

1-Bromo-3-methoxypropane36865-41-5 2-Bromoethyl ethyl ether592-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook