2-Bromopropionyl bromide
Properties
- Molecular formula
- C3H4Br2O
- Molar mass
- 215.87 g/mol
- Exact mass
- 213.8629 Da
- Boiling point
- 153–155 °C
- logP
- 1.69Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed92.3% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501
Identifiers
CAS number
563-76-8SMILES
CC(Br)C(=O)BrInChIKey
ILLHORFDXDLILE-UHFFFAOYSA-NInChI
InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Propanoyl bromide, 2-bromo-
- Propionyl bromide, 2-bromo-
- 2-Bromopropanoyl bromide
- α-Bromopropionyl bromide
- α-Bromopropanyl bromide
- DL-2-Bromopropionyl bromide
- (±)-2-Bromopropanoyl bromide
- 2-Bromoisopropionyl chloride
Work with 2-Bromopropionyl 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
3-Bromo-2-butanone814-75-548 % similar
(R)-(+)-2-Bromopropionic acid10009-70-846 % similar
(2S)-2-Bromopropanoic acid32644-15-846 % similar
2-Bromopropionic acid598-72-146 % similar
2-Bromopropanoyl chloride7148-74-546 % similar
2-Bromobutanoyl bromide26074-52-242 % similar
Methyl 2-bromopropanoate5445-17-042 % similar
3-Bromo-1,1,1-trifluorobutan-2-one382-01-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.