30747-87-6

Basic information

• Product Name: 3-chloro-5-nitro-1,2-benzisothiazole
• Synonyms: 3-chloro-5-nitro-1,2-benzisothiazole
• CAS NO: 30747-87-6
• Molecular Formula: C7H3ClN2O2S
• Molecular Weight: 215
• Mol File: 30747-87-6.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 270.7°Cat760mmHg
• Flash Point: 117.5°C
• Appearance: /
• Density: 1.65g/cm³
• Vapor Pressure: 0.0112mmHg at 25°C
• Refractive Index: 1.731
• PKA: -0.70±0.50(Predicted)
• CAS DataBase Reference: 3-chloro-5-nitro-1,2-benzisothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-chloro-5-nitro-1,2-benzisothiazole(30747-87-6)
• EPA Substance Registry System: 3-chloro-5-nitro-1,2-benzisothiazole(30747-87-6)

Safety Data

• Hazardous Substances Data: 30747-87-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H3ClN2O2S/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H

Upstream product

• 7716-66-7 3-chloro-1,2-benzisothiazole 
• 64099-26-9 3-methoxy-5-nitro-1,2-benzisothiazole 
• 84387-89-3 3-amino-5-nitro-1,2-benzisothiazole 
• 63285-88-1 5-nitro-2,1-benzisothiazol-3(1H)-one 
• 60768-66-3 5-nitro-1,2-benzisothiazole 
• 4337-52-4 5-nitro-1,2-benzisothiazol-3(2H)-one 

Downstream Products

• 84387-89-3 3-amino-5-nitro-1,2-benzisothiazole 
• 148193-30-0 5-amino-3-chloro-1,2-benzisothiazole 

Relevant articles and documents

Deaminative chlorination of aminoheterocycles

Selective modification of heteroatom-containing aromatic structures is in high demand as it permits rapid evaluation of molecular complexity in advanced intermediates. Inspired by the selectivity of deaminases in nature, herein we present a simple methodology that enables the NH2 groups in aminoheterocycles to be conceived as masked modification handles. With the aid of a simple pyrylium reagent and a cheap chloride source, C(sp2)?NH2 can be converted into C(sp2)?Cl bonds. The method is characterized by its wide functional group tolerance and substrate scope, allowing the modification of >20 different classes of heteroaromatic motifs (five- and six-membered heterocycles), bearing numerous sensitive motifs. The facile conversion of NH2 into Cl in a late-stage fashion enables practitioners to apply Sandmeyer- and Vilsmeier-type transforms without the burden of explosive and unsafe diazonium salts, stoichiometric transition metals or highly oxidizing and unselective chlorinating agents. [Figure not available: see fulltext.]

BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION

The present invention relates to benzisothiazoles and pharmaceutical compositions thereof that inhibit replication and/or proliferation of HCV virus. The present invention also relates to the use of the benzisothiazoles and pharmaceutical compositions comprising the compounds to treat or prevent HCV infections.

Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds

There are provided 3-heterocyclic substituted benzisothiazole and benzisoxazole compounds having the structural formula I where Q, X, X1 and Z are defined as in claim 1. Further provided are compositions and methods comprising those compounds for the control of undesirable plant species.