3-Chloro-1,2-benzothiazole

Basic Information

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CAS Number

7716-66-7

Molecular Formula

C7H4ClNS

Molecular Weight

169.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

39.0 to 44.0 deg-C

Boiling Point

176.1°C at 760 mmHg

Density

Flash Point

80-86°C/0.75mm

Solubility

Soluble in Chloroform, Dichloromethane and Ethyl Acetate.

SMILES

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C1=CC=C2C(=C1)C(=NS2)Cl

InChI

InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H

InChIKey

BCPVKLRBQLRWDQ-UHFFFAOYSA-N

LogP

2.949700000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

131

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-Chloro-1,2-benzisothiazole, 99%
3-CHLOROBENZOISOTHIAZOLE
FT-0615291
SB14698
DTXSID20344599
3-chloro-(1,2-benzisothiazole)
3-CHLOROBENZISOTHIAZOLE
BB 0216396
3-chlorobenzo[d]isothiazole;3-Chloro-1,2-benzoisothiazole
3-Chloro-1,2-benzisothiazole
MFCD00673254
A9771
3-Chlorobenzo[d]isothia-zole
CS-W016032
NS00120337
7716-66-7
3-chlorobenzo[d]isothiazole
Z57033963
3-Chloro-1,2-benzoisothiazole
Q-200367
AM10684
C1991
3-chloro-1,2-benzothiazole
AKOS000117368
EN300-10958
HMS1732N07
AT19018
AC-224
PS-4455
SCHEMBL291121
F0001-1985

MDL Number

MFCD00673254

Customs Code

2934999090

FAQ

What is 3-Chloro-1,2-benzothiazole (CAS: 7716-66-7)?

3-Chloro-1,2-benzothiazole (CAS: 7716-66-7) is an aromatic heterocyclic compound with the chemical formula C7H5ClN2S. It features a benzene ring fused to a thiazole ring, with a chlorine atom at the 3-position. This compound is typically a pale yellow solid and is known for its stability and reactivity in organic synthesis. It is widely used as an intermediate in pharmaceutical and industrial applications.

What are the main uses of 3-Chloro-1,2-benzothiazole (CAS: 7716-66-7)?

3-Chloro-1,2-benzothiazole (CAS: 7716-66-7) is primarily used in pharmaceuticals as a key component in drug development, particularly for antifungal and antibiotic agents. It also serves as an intermediate in the production of dyes, pesticides, and rubber chemicals. In research, it is valued for its role in synthesizing bioactive compounds and functional materials. Its versatility makes it relevant across multiple industries.

Is 3-Chloro-1,2-benzothiazole (CAS: 7716-66-7) safe?

3-Chloro-1,2-benzothiazole (CAS: 7716-66-7) requires careful handling due to potential toxicity. It may cause skin and eye irritation, and inhalation of its vapors could pose health risks. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and working in a well-ventilated area. Always follow regulatory guidelines for its use and storage to ensure safety.

How should 3-Chloro-1,2-benzothiazole (CAS: 7716-66-7) be stored?

3-Chloro-1,2-benzothiazole (CAS: 7716-66-7) should be stored in a sealed, cool, and dry container, away from light and moisture. It is stable under normal conditions but may degrade if exposed to high temperatures or humidity. Storage in glass or airtight plastic containers is recommended to maintain its integrity and prevent contamination. Keep it in a well-ventilated area for safety.