Bromomethyl ethyl ketone
Properties
- Molecular formula
- C4H7BrO
- Molar mass
- 151.00 g/mol
- Exact mass
- 149.9680 Da
- Boiling point
- 105 °C
- logP
- 1.36Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed91.3% of notifiers
- H312 Harmful in contact with skin91.3% of notifiers
- H315 Causes skin irritation91.3% of notifiers
- H319 Causes serious eye irritation91.3% of notifiers
- H332 Harmful if inhaled91.3% of notifiers
- H335 May cause respiratory irritation91.3% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
816-40-0SMILES
CCC(=O)CBrInChIKey
CCXQVBSQUQCEEO-UHFFFAOYSA-NInChI
InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2-Butanone, 1-bromo-
- 1-Bromo-2-butanone
- 2-Oxobutyl bromide
Work with Bromomethyl ethyl ketone
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
1,3-Dibromo-2-propanone816-39-761 % similar
3-Pentanone96-22-061 % similar
3,6-Octanedione2955-65-955 % similar
3,5-Heptanedione7424-54-655 % similar
3-Hexanone589-38-848 % similar
Ethyl 4-bromoacetoacetate13176-46-045 % similar
3-Heptanone106-35-444 % similar
Methylthiomethyl ethyl ketone13678-58-544 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.