4-Bromo-1-butanol

C4H9BrOCAS 33036-62-3153.02 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 3-Bromo-2-methylpropan-1-ol40145-08-2 2-Bromoethyl ethyl ether592-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook