2,1,3-Benzothiadiazole

Basic Information

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CAS Number

273-13-2

Molecular Formula

C6H4N2S

Molecular Weight

136.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

43.0 to 47.0 deg-C

Boiling Point

64°C/1.5mmHg

Solubility

Solubility in methanol almost transparent.

Refractive Index

1.5300 (estimate)

SMILES

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C1=CC2=NSN=C2C=C1

InChI

InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H

InChIKey

PDQRQJVPEFGVRK-UHFFFAOYSA-N

LogP

1.6912999999999998

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

95.2

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Sensitive to air

Synonyms & References

English

22706-22-5
SY015401
2,1,3-Benzothiadiazole, 98%
AC-907/25014100
2,1,3-Benzothiadiazole
Piazthiole
2-Thia-1,3-diaza-2H-isoindene
AM20050165
3,2,5-thiadiazole
HMS1782J14
AKOS001040879
F10820
SCHEMBL17948244
B0921
Z56893124
UNII-8FTH8AJA9H
InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4
NSC 679
MFCD00005809
2-Thia-1, 3-diaza-2H-isoindene
AI3-23487
NSC 43636
EN300-17142
CHEMBL283327
benzo[c][1,2,5]thiadiazole
2,3-Benzothiadiazole
Benzo[1,2,5]thiadiazole
NSC679
8FTH8AJA9H
benzo[c]-1,2,5-thiadiazole
2lambda4,1,3-benzothiadiazole

MDL Number

MFCD00005809

Customs Code

2934999090

FAQ

What is 2,1,3-Benzothiadiazole (CAS: 273-13-2)?

2,1,3-Benzothiadiazole (CAS 273-13-2) is a heterocyclic organic compound containing a benzene ring fused with a thiadiazole ring. Its chemical formula is C6H6N2S2, and it exhibits aromatic properties with sulfur and nitrogen atoms contributing to its stability and reactivity. Commonly used as a building block in chemical synthesis, it is valued for its structural versatility in pharmaceutical and material science applications.

What are the main uses of 2,1,3-Benzothiadiazole (CAS: 273-13-2)?

2,1,3-Benzothiadiazole (CAS 273-13-2) is widely utilized in pharmaceuticals as an intermediate for drug development, particularly in antifungal and antiviral compounds. It also finds applications in industrial dyes, agrochemicals, and electronic materials. Researchers employ it in organic synthesis for creating functionalized molecules, while its derivatives are used in photovoltaic and optoelectronic devices due to unique electronic properties.

Is 2,1,3-Benzothiadiazole (CAS: 273-13-2) safe?

2,1,3-Benzothiadiazole (CAS 273-13-2) is generally considered safe when handled according to standard laboratory protocols. However, it may exhibit mild toxicity if inhaled or ingested, necessitating appropriate protective measures. Safety data sheets (SDS) recommend avoiding prolonged skin contact and using personal protective equipment (PPE). Compliance with OSHA and EPA guidelines ensures safe use in industrial and research settings.

How should 2,1,3-Benzothiadiazole (CAS: 273-13-2) be stored?

2,1,3-Benzothiadiazole (CAS 273-13-2) should be stored in a sealed, airtight container in a cool, dry place, away from direct light. It is stable under normal conditions but sensitive to moisture and heat. Storage in a well-ventilated area with controlled humidity levels is advised to maintain its integrity. Always keep it in a fire-resistant cabinet to prevent accidental exposure to incompatible substances.