2,1,3-Benzothiadiazole-4-sulfonyl chloride

Basic Information

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CAS Number

73713-79-8

Molecular Formula

C6H3ClN2O2S2

Molecular Weight

234.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

148 °C

Boiling Point

359.4℃ at 760 mmHg

SMILES

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C1=CC2=NSN=C2C(=C1)S(=O)(=O)Cl

InChI

InChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H

InChIKey

CXAICGCTHOWKPP-UHFFFAOYSA-N

LogP

2.3405000000000005

Topological Polar Surface Area

58.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

290

Safety Information

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Hazard Statement

Hazard Class

Class 8 Class 8

Synonyms & References

English

SY031490
2??,1,3-benzothiadiazole-4-sulfonyl chloride
J-506695
A837907
benzo[1,2,5]thiadiazole-4-sulfonylchloride
Benzo[c][1,2,5]thiadiazole-4-sulfonylchloride
2,1,3-Benzothiadiazole-4-sulfonyl chloride
BP-10375
4-chlorosulfonyl-2,1.3-benzothiadiazole
AKOS000265056
73713-79-8
F1984-0285
methyl-2-(2,5-DImethyl-1,3-THIAZOL-4-YL)ACETATE
benzo[1,2,5]thiadiazole-4-sulfonyl chloride
benzo[2,1,3]thiadiazole-4-sulfonyl chloride
CS-W000313
FT-0608997
CXAICGCTHOWKPP-UHFFFAOYSA-N
Benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride
2$l^{4},1,3-benzothiadiazole-4-sulfonyl chloride
benzo-2,1,3-thiadiazolesulfonyl chloride
Benzo-2,1,3-thiadiazole-4-sulfonyl chloride
4-Chlorosulfonyl-2,1,3-benzothiadiazole
AS-9638
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
SCHEMBL761217
BB 0254961
F3099-5684
2,1,3-benzothiadiazole-4-sulphonyl chloride
Z1203132667
2lambda4,1,3-benzothiadiazole-4-sulfonyl chloride

MDL Number

MFCD04066702

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,1,3-Benzothiadiazole-4-sulfonyl chloride (CAS: 73713-79-8)?

2,1,3-Benzothiadiazole-4-sulfonyl chloride is a crystalline compound with a molecular weight of approximately 223.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It is a strong electrophile due to the presence of the sulfonyl chloride group.

How is 2,1,3-Benzothiadiazole-4-sulfonyl chloride (CAS: 73713-79-8) typically synthesized?

2,1,3-Benzothiadiazole-4-sulfonyl chloride is synthesized by the reaction of 2,1,3-benzothiadiazole with thionyl chloride. This reaction typically requires heating and proceeds with good yield and selectivity. The use of anhydrous conditions ensures the stability and efficacy of the reaction.

What industries use 2,1,3-Benzothiadiazole-4-sulfonyl chloride (CAS: 73713-79-8)?

2,1,3-Benzothiadiazole-4-sulfonyl chloride finds applications in pharmaceuticals for its potential as an intermediate in drug synthesis, as well as in the polymer industry for the modification of polymer properties. It is also used in the development of sensors and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 2,1,3-Benzothiadiazole-4-sulfonyl chloride (CAS: 73713-79-8)?

Proper handling of 2,1,3-Benzothiadiazole-4-sulfonyl chloride requires the use of personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be handled in a fume hood to minimize exposure. Spills should be cleaned up carefully, using appropriate absorbent materials, and the area should be well-ventilated. It is recommended to consult the Safety Data Sheet (SDS) for detailed safety information.