2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole

Basic Information

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CAS Number

133840-96-7

Molecular Formula

C8H3ClF3NOS

Molecular Weight

253.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

250.7°C at 760 mmHg

SMILES

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FC(F)(F)Oc1ccc2nc(Cl)sc2c1

InChI

InChI=1S/C8H3ClF3NOS/c9-7-13-5-2-1-4(3-6(5)15-7)14-8(10,11)12/h1-3H

InChIKey

PPGSYGPSOLZOOU-UHFFFAOYSA-N

LogP

3.848300000000001

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

240

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

2-CHLORO-6-(TRIFLUOROMETHOXY)- BENZOTHIAZOLE
2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole
2-Chloro-6-(trifluoromethoxy)-Benzo[d]thiazole
2-Chloro-6-(trifluoromethoxy)benzothiazole
2-Chloro-6-trifluoromethoxybenzothiazole
2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole
2-Chloro-6-(trifluoromethoxy)-benzothiazole
2-chloro-6-trifluoromethoxylbenzothiazole
2-Chloro-6-trifluoromethoxy-benzothiazole
Benzothiazole, 2-chloro-6-(trifluoromethoxy)-
PubChem21739
PPGSYGPSOLZOOU-UHFFFAOYSA-N
BCP12872
A
2-chloro-6-(trifluoromethoxy)-1,3-benzothiazole

MDL Number

MFCD09743918

Customs Code

2934200090

FAQ

What are the physical and chemical properties of 2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole (CAS: 133840-96-7)?

2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole is a solid, crystalline compound with a molecular weight of approximately 308.02 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it shows moderate reactivity towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole (CAS: 133840-96-7) typically synthesized?

2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole is typically synthesized via electrophilic aromatic substitution. The reaction involves the condensation of 2-chloro-3,5-difluorobenzoyl chloride with 1,3-benzothiazole in the presence of a catalyst like a Lewis acid. The reaction is carried out under anhydrous conditions to ensure high selectivity and yield.

What industries use 2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole (CAS: 133840-96-7)?

2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole is used in the pharmaceutical industry for the synthesis of certain drugs, particularly in the development of antimicrobial and antiviral agents. It is also utilized in the polymer industry as a stabilizer and in the electronics industry for corrosion inhibition. Additionally, it finds applications in the production of sensors and semiconductors.

What precautions should be taken when handling 2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole (CAS: 133840-96-7)?

When handling 2-Chloro-6-(trifluoromethoxy)-1,3-benzothiazole, ensure the use of proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Store the compound in a tightly sealed container in a cool, dry place away from direct sunlight. In case of spillage, collect the material using an appropriate waste container and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.