chempirical

Bromoethanesulfonic acid

C2H5BrO3SCAS 26978-65-4189.02 g/mol

Open in Covalent MOL file
OSOHOBr
Alkyl halideSulfonic acid

Properties

Molecular formula
C2H5BrO3S
Molar mass
189.02 g/mol
Exact mass
187.9143 Da
Boiling point
160–162 °C (at 2 Torr)
logP
0.27Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26978-65-4
SMILES
O=S(=O)(O)CCBr
InChIKey
OQFSYHWITGFERZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

Weigh it out

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

Names and synonyms

4 names
  • Ethanesulfonic acid, 2-bromo-
  • 2-Bromoethanesulfonic acid
  • 2-Bromoethane-1-sulfonic acid
  • 2-Bromo-1-ethanesulfonic acid

Work with Bromoethanesulfonic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium 2-bromoethanesulfonate4263-52-9Salt

Similar compounds

Ethanedisulfonic acid110-04-361 % similar 1,3-Propanedisulfonic acid21668-77-955 % similar 1,4-Butanedisulfonic acid27665-39-055 % similar Isethionic acid107-36-850 % similar Taurine107-35-748 % similar Coenzyme M3375-50-648 % similar 1-Propanesulfonic acid5284-66-248 % similar PIPES5625-37-646 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook