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Key Documents

177547

Sigma-Aldrich

2,5-Dichlorobenzenesulfonyl chloride

98%

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About This Item

Linear Formula:
Cl2C6H3SO2Cl
CAS Number:
Molecular Weight:
245.51
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

liquid

mp

36-37 °C (lit.)

functional group

chloro

SMILES string

Clc1ccc(Cl)c(c1)S(Cl)(=O)=O

InChI

1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H

InChI key

BXCOSWRSIISQSL-UHFFFAOYSA-N

Application

2,5-Dichlorobenzenesulfonyl chloride was used to study the synthesis and structure–activity profile of benzoxazole benzenesulfonamide analogs.

pictograms

CorrosionExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges


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Chunqiu Lai et al.
Bioorganic & medicinal chemistry letters, 16(7), 1807-1810 (2006-02-01)
A series of novel benzoxazole benzenesulfonamides was synthesized as inhibitors of fructose-1,6-bisphosphatase (FBPase-1). Extensive SAR studies led to a potent inhibitor, 53, with an IC(50) of 0.57microM. Compound 17 exhibited excellent bioavailability and a good pharmacokinetic profile in rats.

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