2,1,3-Benzothiadiazol-4-amine

Basic Information

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CAS Number

767-64-6

Molecular Formula

C6H5N3S

Molecular Weight

151.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

67-69 °C

Boiling Point

314

Density

1.485

Water Solubility

Insoluble in water.

Flash Point

137.1°C

Refractive Index

1.785

SMILES

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C1=CC2=NSN=C2C(=C1)N

InChI

InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2

InChIKey

DRLGIZIAMHIQHL-UHFFFAOYSA-N

LogP

1.2735

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

130

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC 73013
767-64-6
DTXSID60227498
SR-01000597187-1
2,1,3-Benzothiadiazol-4-amine
4-Amino-2,1,3-benzothiadiazole
4-Aminobenzo-2,1,3-thiadiazole
CCG-36285
MLS000762975
NS00037838
7-Amino-2,3-benzothiadiazole
CS-W018457
(BENZO(2,1,3)THIADIAZOL-4-YL)AMINE
7-Amino-2,1,3-benzothiadiazole
UNII-N93ZR5H5L1
BTE
SR-01000597187-2
4-27-00-08093 (Beilstein Handbook Reference)
HMS555I10
4-Amino-2,1,3-benzothiadiazole, 98%
2,1,3-Benzothiadiazol-4-ylamine
AMY18769
NCIStruc1_000017
SDCCGMLS-0066137.P001
EN300-220603
BRN 0003551
Benzo[1,2,5]thiadiazol-4-ylamine
4-Aminopiazthiole
2,3-Benzothiadiazole, 4-amino-
SMR000438262
2,3-Benzothiadiazole, 7-amino-

MDL Number

MFCD00005810

FAQ

What are the physical and chemical properties of 2,1,3-Benzothiadiazol-4-amine (CAS: 767-64-6)?

2,1,3-Benzothiadiazol-4-amine is a white to off-white crystalline solid with a molecular weight of approximately 158.23 g/mol. It is slightly soluble in water and ethanol. Chemically, it shows basic properties due to the amine group and exhibits reactivity towards acidic conditions. It is stable under normal conditions but susceptible to hydrolysis in acidic media.

How is 2,1,3-Benzothiadiazol-4-amine (CAS: 767-64-6) typically synthesized?

2,1,3-Benzothiadiazol-4-amine is typically synthesized by the reduction of 2,1,3-benzothiadiazolone with a reducing agent such as sodium borohydride or lithium aluminum hydride. The reaction is carried out in an inert solvent like dimethylformamide (DMF) at room temperature. The yield is generally good, around 80-90%, and the product can be isolated by filtration and recrystallization.

What industries use 2,1,3-Benzothiadiazol-4-amine (CAS: 767-64-6)?

2,1,3-Benzothiadiazol-4-amine is used in various industries. It is particularly relevant in the pharmaceutical industry for the synthesis of drug intermediates. In the polymer industry, it serves as a stabilizer and antioxidant. It also finds applications in sensor technology for detecting certain gases and in semiconductor manufacturing as a dopant.

What precautions should be taken when handling 2,1,3-Benzothiadiazol-4-amine (CAS: 767-64-6)?

Proper handling of 2,1,3-Benzothiadiazol-4-amine requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed information on storage and disposal. Handling should be done in accordance with local and national regulations for chemical safety.