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254665

3-Nitrobenzenesulfonyl chloride

97%

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About This Item

Linear Formula:
O2NC6H4SO2Cl
CAS Number:
121-51-7
Molecular Weight:
221.62
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855399
EC Number:
204-476-2
Beilstein/REAXYS Number:
746542
MDL number:
MFCD00007435
Assay:
97%
Form:
solid
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assay

97%

form

solid

mp

61-62 °C (lit.)

functional group

nitro

SMILES string

[O-][N+](=O)c1cccc(c1)S(Cl)(=O)=O

InChI

1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H

InChI key

MWWNNNAOGWPTQY-UHFFFAOYSA-N

Application

3-Nitrobenzenesulfonyl chloride has been used in preparation of:
  • acyl-2-aminobenzimidazole analogs
  • 6-chloro-2-methyl-3-{1-[(3-nitrophenyl)sulfonyl]-1H-pyrazol-3-yl}imidazo[1,2-a]pyridine

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000062135
0000062136
0000060151
0000052236
0000049218

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Masahiko Hayakawa et al.
Bioorganic & medicinal chemistry, 15(1), 403-412 (2006-10-20)
3-{1-[(4-Fluorophenyl)sulfonyl]-1H-pyrazol-3-yl}-2-methylimidazo[1,2-a]pyridine, 2a, was discovered in our chemical library as a novel p110alpha inhibitor with an IC(50) of 0.67microM, through screening in a scintillation proximity assay. Optimization of the substituents of 2a increased the p110alpha inhibitory activity by more than 300-fold
Jay P Powers et al.
Bioorganic & medicinal chemistry letters, 16(11), 2842-2845 (2006-03-28)
High-throughput screening of a small-molecule compound library resulted in the identification of a novel series of N-acyl 2-aminobenzimidazoles that are potent inhibitors of interleukin-1 receptor-associated kinase-4.

Global Trade Item Number

SKUGTIN
254665-25G04061825998794
254665-5G04061825998800