2,6-Dichloro-1,3-benzothiazole

Basic Information

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CAS Number

3622-23-9

Molecular Formula

C7H3Cl2NS

Molecular Weight

204.08 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

96.0 to 100.0 deg-C

Boiling Point

286.8°C at 760 mmHg

Density

1.567

Flash Point

127.2 °C

Refractive Index

1.701

SMILES

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C1=CC2=C(C=C1Cl)SC(=N2)Cl

InChI

InChI=1S/C7H3Cl2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H

InChIKey

QDZGJGWDGLHVNK-UHFFFAOYSA-N

LogP

3.6031000000000004

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

155

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

DTXSID50189773
F1910-0017
SY030338
EINECS 222-819-4
2,6-dichlorobenzo[d]thiazole
CS-W015439
2,6-Dichloro-1,3-benzothiazole
AC-15086
BCP26651
UNII-AQ7Y99R8H3
SCHEMBL334252
D3801
MFCD00044101
2,6-Dichlorobenzothiazole, 97%
Benzothiazole, 2,6-dichloro-
3622-23-9
2-CHLORO-6-CHLOROBENZO(D)THIAZOLE
EN300-154577
NS00029998
AKOS005208218
2,6-Dichloro -benzothiazole
Q-102069
2,6-Dichloro benzothiazole
AM20040281
2,6-DICHLOROBENZO(D)THIAZOLE
2,6-Dichloro-1,3-benzothiazole #
FT-0610599
AS-5320
AQ7Y99R8H3
2,6-Dichloro-benzothiazole
2,6-Dichlorobenzothiazole

MDL Number

MFCD00044101

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,6-Dichloro-1,3-benzothiazole (CAS: 3622-23-9)?

2,6-Dichloro-1,3-benzothiazole is a crystalline compound with a molecular weight of 218.03 g/mol. It is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is moderately reactive, showing limited reactivity towards nucleophiles and good stability under normal conditions. Its unique structure makes it suitable for various applications in the chemical industry.

How is 2,6-Dichloro-1,3-benzothiazole (CAS: 3622-23-9) typically synthesized?

2,6-Dichloro-1,3-benzothiazole is typically synthesized through the reaction of thiourea and chlorosulfonic acid. The process involves treating thiourea with chlorosulfonic acid, followed by hydrolysis. Commonly, the reaction is conducted at room temperature, and the yield is around 70-80%. Catalysts such as sulfuric acid are often used to enhance the reaction rate and selectivity.

What industries use 2,6-Dichloro-1,3-benzothiazole (CAS: 3622-23-9)?

2,6-Dichloro-1,3-benzothiazole finds applications in various industries. It is used in the pharmaceutical industry as an intermediate for the synthesis of medications. In the polymer industry, it serves as a stabilizer to protect polymers from degradation. Additionally, it is employed in the production of sensors, semiconductors, and as a fungicide in agriculture.

What precautions should be taken when handling 2,6-Dichloro-1,3-benzothiazole (CAS: 3622-23-9)?

Handling 2,6-Dichloro-1,3-benzothiazole requires careful attention to safety. It should always be handled in a well-ventilated area or fume hood to avoid inhaling its vapor. Wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. In case of a spill, use appropriate materials to contain and dispose of it safely, following the Material Safety Data Sheet (MSDS) guidelines.