5-Bromo-2,1-benzothiazole

Basic Information

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CAS Number

20712-07-6

Molecular Formula

C7H4BrNS

Molecular Weight

214.09 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

SMILES

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C1=CC2=NSC=C2C=C1Br

InChI

InChI=1S/C7H4BrNS/c8-6-1-2-7-5(3-6)4-10-9-7/h1-4H

InChIKey

OZRILMBPXSZJAR-UHFFFAOYSA-N

LogP

3.0588000000000006

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

131

Synonyms & References

English

A879484
MFCD08706414
PS-11813
20712-07-6
2,1-Benzisothiazole, 5-bromo-
AMY1669
5-bromo-2, 1-benzothiazole
CS-0314205
FT-0645993
AKOS015898671
5-Bromo-benzo[c]isothiazole
SB35225
DTXSID90590263
4-Butoxy-4-cyanobiphenyl
5-bromo-2,1-Benzisothiazole
5-bromobenzo[c]isothiazole
5-bromo-2,1-benzothiazole
SCHEMBL3679985
5-Bromobenzo[c]isothiazole
2,1-Benzisothiazole,5-bromo-
2,1-Benzisothiazole,5-bromo
5-Brom-2,1-benzisothiazol
5-bromo-benzo[c]isothiazole

MDL Number

MFCD08706414

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Bromo-2,1-benzothiazole (CAS: 20712-07-6)?

5-Bromo-2,1-benzothiazole (CAS: 20712-07-6) is a crystalline solid with a molecular weight of approximately 213.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetone, ethanol, and dimethylformamide. This compound is known for its high reactivity towards nucleophiles, particularly in substitution reactions.

How is 5-Bromo-2,1-benzothiazole (CAS: 20712-07-6) typically synthesized?

5-Bromo-2,1-benzothiazole is typically synthesized by bromination of 2,1-benzothiazole using bromine in the presence of a catalyst such as iron(III) bromide. The reaction is carried out in an inert solvent like dichloromethane, resulting in high yield and good selectivity.

What industries use 5-Bromo-2,1-benzothiazole (CAS: 20712-07-6)?

5-Bromo-2,1-benzothiazole (CAS: 20712-07-6) finds applications in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for functionalizing materials, and sensors for detecting specific chemical species. It is also used in the development of semiconductors and as a precursor in organic electroluminescent devices.

What precautions should be taken when handling 5-Bromo-2,1-benzothiazole (CAS: 20712-07-6)?

When handling 5-Bromo-2,1-benzothiazole (CAS: 20712-07-6), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up promptly using appropriate procedures, and safety data sheets (SDS) should be consulted for detailed information on handling and disposal.