Propanoyl bromide

C3H5BrOCAS 598-22-1136.98 g/mol

Open in Covalent MOL file
OBr
Acyl halide

Properties

Molecular formula
C3H5BrO
Molar mass
136.98 g/mol
Exact mass
135.9524 Da
Boiling point
102 °C
logP
1.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
598-22-1
SMILES
CCC(=O)Br
InChIKey
RIBFXMJCUYXJDZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Propionyl bromide
  • Propionic acid bromide

Work with Propanoyl bromide

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

Bromoacetyl bromide598-21-045 % similar 3,4-Hexanedione4437-51-842 % similar 3-Pentanone96-22-042 % similar Bromomethyl ethyl ketone816-40-039 % similar 3,6-Octanedione2955-65-938 % similar 3,5-Heptanedione7424-54-638 % similar Butanone78-93-338 % similar Propionic anhydride123-62-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Bromomethyl)oxirane3132-64-7 3-Bromooxetane39267-79-3 Bromoacetone598-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook