4-bromo-1,3-benzothiazole

Basic Information

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CAS Number

767-68-0

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=C(C(=C1)Br)N=CS2

InChI

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

InChIKey

SXZKODVCLOIJGX-UHFFFAOYSA-N

LogP

3.0588000000000006

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

131

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Benzothiazole,4-bromo-(7ci,8ci)
DTXSID80396579
A838821
4-bromo-1,3-benzothiazole
J-514809
AKOS015919982
EN300-197656
FS-2699
FT-0647885
767-68-0
4-bromanyl-1,3-benzothiazole
SB38656
p-bromo-benzothiazole
4-Bromobenzothiazole
4-BROMO-BENZOTHIAZOLE
CS-W005649
SCHEMBL197613
MFCD11858590
Benzothiazole, 4-bromo- (7CI,8CI)
4-BROMOBENZO[D]THIAZOLE
SY019447
Benzothiazole, 4-bromo-
AM20041140
Z1269177018
4-Bromo-1,3-benzothiazole
4-Bromobenzo[d]thiazole
4-Brombenzothiazol
4-BROMO-BENZO[D]THIAZOLE
Benzothiazole,4-bromo
RP26798
AB0026637

MDL Number

MFCD11858590

Customs Code

2934200090

FAQ

What are the physical and chemical properties of 4-bromo-1,3-benzothiazole (CAS: 767-68-0)?

4-bromo-1,3-benzothiazole is a white or off-white crystalline solid with a molecular weight of approximately 215.03 g/mol. It is slightly soluble in hot water and ethanol. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry and cool place to prevent hydrolysis.

How is 4-bromo-1,3-benzothiazole (CAS: 767-68-0) typically synthesized?

4-bromo-1,3-benzothiazole is typically synthesized via the bromination of 1,3-benzothiazole using bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is carried out in a polar aprotic solvent like dichloromethane. The yield is usually around 80%, and the product is isolated by recrystallization.

What industries use 4-bromo-1,3-benzothiazole (CAS: 767-68-0)?

4-bromo-1,3-benzothiazole is used in various industries, particularly in pharmaceuticals and fine chemicals. It serves as a precursor for the synthesis of other benzothiazole derivatives with potential applications in antimalarial drugs and as a component in some polymer formulations. It is also used in the development of sensors and as a ligand in coordination chemistry.

What precautions should be taken when handling 4-bromo-1,3-benzothiazole (CAS: 767-68-0)?

When handling 4-bromo-1,3-benzothiazole (CAS: 767-68-0), it is essential to use appropriate personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation exposure. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.