2-(Acetyloxy)-2-methylpropanoyl bromide

C6H9BrO3CAS 40635-67-4209.04 g/mol

Open in Covalent MOL file
OOOBr
Acyl halideEster

Properties

Molecular formula
C6H9BrO3
Molar mass
209.04 g/mol
Exact mass
207.9735 Da
logP
1.25Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
40635-67-4
SMILES
CC(=O)OC(C)(C)C(=O)Br
InChIKey
OOKAXSHFTDPZHP-UHFFFAOYSA-N
InChI
InChI=1S/C6H9BrO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Propanoyl bromide, 2-(acetyloxy)-2-methyl-
  • 2-Acetoxyisobutyryl bromide
  • α-Acetoxyisobutyryl bromide
  • Mattock's bromide
  • 2-Acetoxy-2-methylpropanoyl bromide
  • 1-Bromocarbonyl-1-methylethyl acetate
  • 2-Acetoxy-2-methylpropionyl bromide

Work with 2-(Acetyloxy)-2-methylpropanoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-355 % similar tert-Butyl acetate540-88-550 % similar 2-Bromoisobutyryl bromide20769-85-141 % similar Acetic anhydride108-24-738 % similar tert-Butyl peroxyacetate107-71-137 % similar Methyltriacetoxysilane4253-34-336 % similar Dihydroterpinyl acetate58985-18-535 % similar Isopropenyl acetate108-22-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-bromoacetoacetate13176-46-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook