545716
3-Bromobenzenesulfonyl chloride
96%
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About This Item
Linear Formula:
BrC6H4SO2Cl
CAS Number:
Molecular Weight:
255.52
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
3-Bromobenzenesulfonyl chloride, 96%
InChI
1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
SMILES string
ClS(=O)(=O)c1cccc(Br)c1
InChI key
PJGOLCXVWIYXRQ-UHFFFAOYSA-N
assay
96%
refractive index
n20/D 1.593 (lit.)
bp
90-91 °C/0.5 mmHg (lit.)
mp
30-33 °C
density
1.773 g/mL at 25 °C (lit.)
functional group
bromo
Quality Level
Related Categories
Application
3-Bromobenzenesulfonyl chloride may be used in the preparation of:
- 2-(3-bromophenyl)-5-n-butylfuran
- 2-(3-bromophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran
- 3-bromo-4-(3-bromophenyl)thiophene
- 2,5-bis(3-bromophenyl)-1-methylpyrrole
General description
3-Bromobenzenesulfonyl chloride is an aryl sulfonyl chloride derivative. It participates in the synthesis of N-sulfonylanthranilic acid derivatives and potent P1′ benzenesulfonyl azacyclic urea human immunodeficiency virus (HIV) protease inhibitors.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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Pd?Catalysed Direct Arylation of Heteroaromatics Using (Poly) halobenzenesulfonyl Chlorides as Coupling Partners: One Step Access to (Poly) halo?Substituted Bi (hetero) aryls.
Skhiri A, et al.
European Journal of Organic Chemistry, 2015(20), 4428-4436 (2015)
Peggy P Huang et al.
Bioorganic & medicinal chemistry letters, 14(15), 4075-4078 (2004-07-01)
A series of novel azacyclic urea HIV protease inhibitors bearing a benzenesulfonamide group at P1' were synthesized utilizing a parallel synthesis method. Structural studies of early analogs bound in the enzyme active site were used to design more potent inhibitors.
Zheng Yin et al.
Journal of medicinal chemistry, 52(24), 7934-7937 (2009-12-18)
A novel class of compounds containing N-sulfonylanthranilic acid was found to specifically inhibit dengue viral polymerase. The structural requirements for inhibition and a preliminary structure-activity relationship are described. A UV cross-linking experiment was used to map the allosteric binding site
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