chempirical

3-Bromo-1-propanol

C3H7BrOCAS 627-18-9138.99 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C3H7BrO
Molar mass
138.99 g/mol
Exact mass
137.9680 Da
Boiling point
105 °C
logP
0.76Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
627-18-9
SMILES
OCCCBr
InChIKey
RQFUZUMFPRMVDX-UHFFFAOYSA-N
InChI
InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

Weigh it out

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

Names and synonyms

7 names
  • 1-Propanol, 3-bromo-
  • Trimethylene bromohydrin
  • 3-Hydroxypropyl bromide
  • 1-Bromo-3-propanol
  • 1-Bromo-3-hydroxypropane
  • 3-Bromopropyl alcohol
  • 3-Bromopropane-1-ol

Work with 3-Bromo-1-propanol

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

4-Bromo-1-butanol33036-62-380 % similar 7-Bromo-1-heptanol10160-24-475 % similar 13-Bromo-1-tridecanol116754-58-675 % similar 11-Bromo-1-undecanol1611-56-975 % similar 12-Bromo-1-dodecanol3344-77-275 % similar 5-Bromo-1-pentanol34626-51-275 % similar 6-Bromo-1-hexanol4286-55-975 % similar 8-Bromo-1-octanol50816-19-875 % similar

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

Same formula

1-Bromo-2-propanol19686-73-8 Bromoethyl methyl ether6482-24-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook