Trimethylsilyl bromoacetate

C5H11BrO2SiCAS 18291-80-0211.13 g/mol

Open in Covalent MOL file
SiOOBr
Alkyl halideSilyl ether

Properties

Molecular formula
C5H11BrO2Si
Molar mass
211.13 g/mol
Exact mass
209.9712 Da
Density
1.3 g/mL
Boiling point
57 °C (at 9 Torr)
logP
1.76Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
18291-80-0
SMILES
C[Si](C)(C)OC(=O)CBr
InChIKey
ZCHHFMWUDHXPFN-UHFFFAOYSA-N
InChI
InChI=1S/C5H11BrO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • Acetic acid, 2-bromo-, trimethylsilyl ester
  • Acetic acid, bromo-, trimethylsilyl ester
  • Silanol, trimethyl-, bromoacetate
  • Bromoacetic acid trimethylsilyl ester

Work with Trimethylsilyl 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

Bis(trimethylsilyl) malonate18457-04-063 % similar Bromoacetic anhydride13094-51-450 % similar Methyl 2-bromoacetate96-32-250 % similar Ethyl bromoacetate105-36-246 % similar 1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-046 % similar Isopropyl bromoacetate29921-57-145 % similar tert-Butyl bromoacetate5292-43-345 % similar Propyl bromoacetate35223-80-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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