2,4-Dichloro-1,3-benzothiazole

Basic Information

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CAS Number

3622-30-8

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

Boiling Point

286.8°C at 760 mmHg

Density

1.567

Flash Point

127.2℃

Refractive Index

1.701

SMILES

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

InChI

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

InChIKey

JJWANONAOYNRME-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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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

MFCD00127716
3622-30-8
2,4-Dichloro-benzothiazole
EN300-181078
AC-6247
NS00029999
A823169
HMS1655H09
2,4-Dichlorobenzothiazole
2,4-dichlorobenzo-thiazole
SCHEMBL1747928
benzothiazole, 2,4-dichloro-
DTXSID10189774
AKOS005208217
J-507176
SY004857
EINECS 222-821-5
DS-10484
JJWANONAOYNRME-UHFFFAOYSA-N
F1910-0008
2,4-DICHLOROBENZO[D]THIAZOLE
CS-W021512
2,4-dichloro-1,3-benzothiazole
FT-0647639
benzothiazole,dichloro-
PubChem21808
Benzothiazole,2,4-dichloro-
EBD26128
ST2409102
AB0024482

MDL Number

MFCD00127716

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8)?

2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8) is a crystalline solid with a molecular weight of approximately 212.04 g/mol. It has a low water solubility but is soluble in organic solvents like dimethylformamide. The compound is relatively stable but can undergo substitution reactions. It has a faint yellow color and a characteristic odor.

How is 2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8) typically synthesized?

2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8) is typically synthesized by the reaction of 2,4-dichlorobenzene with thiourea in the presence of a strong base like potassium carbonate. The process involves heating the mixture to achieve the desired yield, and the product is then purified via recrystallization from ethanol.

What industries use 2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8)?

2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly for antifungal and anticancer drugs. It also finds applications in the production of polymers, sensors, and in organic semiconductor materials.

What precautions should be taken when handling 2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8)?

When handling 2,4-Dichloro-1,3-benzothiazole (CAS: 3622-30-8), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with care, using absorbent materials, and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed safety information and follow local regulations.