structure of Ethyl 3-bromo-4-(chlorosulfonyl)benzoate

Ethyl 3-bromo-4-(chlorosulfonyl)benzoate

CAS No.: 1000932-93-3
M. Wt: 327.58
M. Fa: C9H8BrClO4S
InChI Key: ORRSZYNOLXITNI-UHFFFAOYSA-N
Appearance: Pale-red Solid

Names and Identifiers of 1000932-93-3

CAS Number

1000932-93-3

MDL Number

MFCD09863420

IUPAC Name

ethyl 3-bromo-4-chlorosulfonylbenzoate

InChI

InChI=1S/C9H8BrClO4S/c1-2-15-9(12)6-3-4-8(7(10)5-6)16(11,13)14/h3-5H,2H2,1H3

InChIKey

ORRSZYNOLXITNI-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)Cl)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000932-93-3

H Bond Acceptors

3

H Bond Donors

0

LogP

3.04858638833333

Molecular Formula

C9H8BrClO4S

Molecular Weight

327.58

Safety Information of 1000932-93-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000932-93-3

Ethyl 3-bromo-4-(chlorosulfonyl)benzoate has potential applications in:

  • Pharmaceutical Development: As an intermediate in the synthesis of biologically active compounds.
  • Agrochemicals: It may serve as a precursor for developing herbicides or pesticides due to its reactive functional groups.
  • Material Science: Potential use in synthesizing polymers or other materials that require specific chemical functionalities.

Physical sample testing spectrum (NMR) of 1000932-93-3

Physical sample testing spectrum (NMR) of 1000932-93-3