3-Bromo-2-butanone

C₄H₇BrOCAS 814-75-5151.00 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₄H₇BrO
Molar mass: 151.00 g/mol
Exact mass: 149.9680 Da
Boiling point: 33–34 °C (at 12 Torr)
logP: 1.36Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor91.1% of notifiers
H302 Harmful if swallowed91.1% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

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, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

814-75-5

SMILES

CC(=O)C(C)Br

InChIKey

BNBOUFHCTIFWHN-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3

Weigh it out

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

Names and synonyms

6 names

2-Butanone, 3-bromo-
2-Bromo-3-butanone
α-Bromoethyl methyl ketone
1-Bromoethyl methyl ketone
3-Bromobutanone
(±)-α-Bromoethyl methyl ketone

Work with 3-Bromo-2-butanone

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

2-Bromopropionyl bromide563-76-848 % similar Methyl isopropyl ketone563-80-448 % similar 3-Methyl-2,4-pentanedione815-57-648 % 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 3,4-Dibromo-2-butanone25109-57-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Bromoethyl)oxirane13287-42-8 3-Bromotetrahydrofuran19311-37-6 (1Z)-1-Bromo-2-ethoxyethene23521-49-5 Bromomethyl ethyl ketone816-40-0 2-(Bromomethyl)oxetane939759-23-6

Elsewhere

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