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441759

Sigma-Aldrich

3-(Chlorosulfonyl)benzoic acid

95%

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About This Item

Linear Formula:
ClSO2C6H4CO2H
CAS Number:
4025-64-3
Molecular Weight:
220.63
EC Number:
223-692-8
MDL number:
MFCD00024877
UNSPSC Code:
12352100
PubChem Substance ID:
24867699
NACRES:
NA.22

Assay

95%

mp

128-130 °C (lit.)

SMILES string

OC(=O)c1cccc(c1)S(Cl)(=O)=O

InChI

1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChI key

LMRKXSDOAFUINK-UHFFFAOYSA-N

General description

3-(Chlorosulfonyl)benzoic acid is a sulfonyl halide. It participates in the synthesis of novel anthranilic acid class of PPARδ (Peroxisome proliferator-activated receptor δ) partial agonists.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

441759-VAR:
441759-25G:
441759-BULK:
441759-5G:

Certificates of Analysis (COA)

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Barry G Shearer et al.
Bioorganic & medicinal chemistry letters, 18(18), 5018-5022 (2008-08-30)
Anthranilic acid GW9371 was identified as a novel class of PPARdelta partial agonist through high-throughput screening. The design and synthesis of SAR analogues is described. GSK1115 and GSK7227 show potent partial agonism of the PPARdelta target genes CPT1a and PDK4

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