4-Bromo-2-chloro-1,3-benzothiazole

Basic Information

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CAS Number

182344-57-6

Molecular Formula

C7H3BrClNS

Molecular Weight

248.53 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

Boiling Point

309.2°C at 760 mmHg

SMILES

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C1=CC2=C(C(=C1)Br)N=C(S2)Cl

InChI

InChI=1S/C7H3BrClNS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H

InChIKey

HWPFBBVUHHRYMR-UHFFFAOYSA-N

LogP

3.712200000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

157

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

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

Synonyms & References

English

AB20895
F1910-0009
DS-14102
4-bromo-2-chlorobenzo[d]thiazole
FT-0658280
HWPFBBVUHHRYMR-UHFFFAOYSA-N
4-bromo-2-chloro-1,3-benzothiazole
J-508725
2-Chloro-4-bromobenzothiazole
Benzothiazole, 4-bromo-2-chloro-
DTXSID00365949
AKOS005207620
SCHEMBL2749466
EN300-184372
4-Bromo-2-chlorobenzothiazole
4-bromanyl-2-chloranyl-1,3-benzothiazole
MFCD04971817
SY065331
182344-57-6
A812687
CS-W019865
4-Bromo-2-chlorobenzo[d]thiazole
PubChem21771
Benzothiazole,4-bromo-2-chloro-
RP28820
BC004666
4-bromanyl-2-chloranyl-1,3-be

MDL Number

MFCD04971817

Customs Code

2934200090

FAQ

What are the physical and chemical properties of 4-Bromo-2-chloro-1,3-benzothiazole (CAS: 182344-57-6)?

4-Bromo-2-chloro-1,3-benzothiazole is a yellow crystalline solid with a molecular weight of approximately 272.03 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetonitrile. The compound is known for its low reactivity and stability under normal conditions. It can undergo substitution reactions and exhibits good thermal stability.

How is 4-Bromo-2-chloro-1,3-benzothiazole (CAS: 182344-57-6) typically synthesized?

4-Bromo-2-chloro-1,3-benzothiazole is usually synthesized by the reaction of 2-chloro-1,3-benzothiazole with bromine in the presence of a base such as sodium hydroxide. The process involves the introduction of a bromine atom at the 4-position, followed by selective bromination. Yield and selectivity are typically high, with yields around 85-90%.

What industries use 4-Bromo-2-chloro-1,3-benzothiazole (CAS: 182344-57-6)?

4-Bromo-2-chloro-1,3-benzothiazole is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry as a stabilizer and in the development of sensors. Additionally, it is used in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling 4-Bromo-2-chloro-1,3-benzothiazole (CAS: 182344-57-6)?

When handling 4-Bromo-2-chloro-1,3-benzothiazole, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled using absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.