structure of Methyl 3-(fluorosulfonyl)benzoate

Methyl 3-(fluorosulfonyl)benzoate

CAS No.: 124397-36-0
M. Wt: 218.20
M. Fa: C8H7FO4S
InChI Key: JEGFLTZACMZIDD-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of Methyl 3-(fluorosulfonyl)benzoate

CAS Number

124397-36-0

MDL Number

MFCD22192516

IUPAC Name

methyl 3-fluorosulfonylbenzoate

InChI

InChI=1S/C8H7FO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3

InChIKey

JEGFLTZACMZIDD-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)F

UNSPSC Code

12352100

Physical and chemical properties of Methyl 3-(fluorosulfonyl)benzoate

Boiling Point

304.2±25.0 °C(Predicted)

Density

1.380±0.06 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

0

LogP

1.63543656066667

Molecular Formula

C8H7FO4S

Molecular Weight

218.20

Safety Information of Methyl 3-(fluorosulfonyl)benzoate

Pictograms

Signal Word

 Warning

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

Applications of Methyl 3-(fluorosulfonyl)benzoate

Methyl 3-(fluorosulfonyl)benzoate has potential applications in various fields:

  • Pharmaceuticals: Due to its reactive nature, it may serve as an intermediate in drug synthesis.
  • Agricultural Chemicals: Its unique properties could be exploited in developing agrochemicals.
  • Material Science: The compound may be useful in creating novel materials with specific chemical properties.

Physical sample testing spectrum (NMR) of Methyl 3-(fluorosulfonyl)benzoate

Physical sample testing spectrum (NMR) of Methyl 3-(fluorosulfonyl)benzoate