chempirical

tert-Butyl bromoacetate

C6H11BrO2CAS 5292-43-3195.06 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C6H11BrO2
Molar mass
195.06 g/mol
Exact mass
193.9942 Da
Melting point
44–47 °C
Boiling point
50 °C (at 10 Torr)
logP
1.72Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5292-43-3
SMILES
CC(C)(C)OC(=O)CBr
InChIKey
BNWCETAHAJSBFG-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Acetic acid, 2-bromo-, 1,1-dimethylethyl ester
  • Acetic acid, bromo-, tert-butyl ester
  • Acetic acid, bromo-, 1,1-dimethylethyl ester
  • tert-Butyl α-bromoacetate
  • 1,1-Dimethylethyl bromoacetate
  • 1,1-Dimethylethyl monobromoacetate
  • Bromoacetic acid tert-butyl ester
  • tert-Butyl 2-bromoacetate
  • 1,1-Dimethylethyl 2-bromoacetate
  • NSC 82470
  • Bromoacetic acid 1,1-dimethylethyl ester
  • 2-Bromoacetic acid tert-butyl ester
  • t-Butyl bromoacetate

Work with tert-Butyl bromoacetate

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

1,1-Dimethylethyl 4-bromobutanoate110661-91-159 % similar tert-Butyl propionate20487-40-558 % similar tert-Butyl chloroacetate107-59-556 % similar 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-852 % similar Bromoacetic anhydride13094-51-450 % similar Glycine tert-butyl ester hydrochloride27532-96-350 % similar Mono-tert-butyl malonate40052-13-950 % similar Methyl 2-bromoacetate96-32-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 4-bromobutyrate2969-81-5 2-(2-Bromoethyl)-1,3-dioxane33884-43-4 6-Bromohexanoic acid4224-70-8 4-Acetoxy-1-bromobutane4753-59-7 Ethyl α-bromobutyrate533-68-6 Methyl 5-bromopentanoate5454-83-1 Ethyl 2-bromoisobutyrate600-00-0 2-Bromohexanoic acid616-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook