2-Bromoisobutyryl bromide

C₄H₆Br₂OCAS 20769-85-1229.90 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₄H₆Br₂O
Molar mass: 229.90 g/mol
Exact mass: 227.8785 Da
Boiling point: 163 °C
logP: 2.08Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed86.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction11.8% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

20769-85-1

SMILES

CC(C)(Br)C(=O)Br

InChIKey

YOCIJWAHRAJQFT-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3

Weigh it out

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

Names and synonyms

12 names

2-Bromoisobutanoyl bromide
Propanoyl bromide, 2-bromo-2-methyl-
Propionyl bromide, 2-bromo-2-methyl-
2-Bromo-2-methylpropanoyl bromide
α-Bromoisobutyryl bromide
2-Bromo-2-methylpropionyl bromide
Bromodimethylacetyl bromide
2-Bromoisobutyric bromide
Bromoisobutyryl bromide
2-Methyl-2-bromopropionyl bromide
1,2-Dibromo-2-methylpropanal
Bibb

Work with 2-Bromoisobutyryl 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

Bromoisobutyric acid2052-01-948 % similar 2-Bromo-2-methylpropanamide7462-74-048 % similar Methyl 2-bromo-2-methylpropanoate23426-63-344 % similar Bromodifluoroacetyl bromide1796-12-943 % similar 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-542 % similar 2-(Acetyloxy)-2-methylpropanoyl bromide40635-67-441 % similar 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-939 % similar Ethyl 2-bromoisobutyrate600-00-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dibromo-2-butanone25109-57-3 2-Bromobutanoyl bromide26074-52-2

Elsewhere

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