2,4-Dichloro-1,3-thiazole-5-carbonitrile

Basic Information

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CAS Number

82554-18-5

Molecular Formula

C4Cl2N2S

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

339.1°C at 760 mmHg

Density

1.70±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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N#Cc1sc(nc1Cl)Cl

InChI

InChI=1S/C4Cl2N2S/c5-3-2(1-7)9-4(6)8-3

InChIKey

HXWDCGDBOAECIP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

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

2,4-Dichloro-5-cyanothiazole
2,4-dichloro-1,3-thiazole-5-carbonitrile
5-Thiazolecarbonitrile,2,4-dichloro-
2,4-Dichloro-5-thiazolecarbonitrile
2,4-dichlorothiazole-5-carbonitrile

MDL Number

MFCD08669569

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-1,3-thiazole-5-carbonitrile (CAS: 82554-18-5)?

2,4-Dichloro-1,3-thiazole-5-carbonitrile is a white crystalline solid with a molecular weight of approximately 210.03 g/mol. It has low water solubility but good solubility in organic solvents. This compound is known for its low reactivity under normal conditions, but it may react with strong bases or metal catalysts. It is stable under normal storage conditions but should be protected from strong acids.

How is 2,4-Dichloro-1,3-thiazole-5-carbonitrile (CAS: 82554-18-5) typically synthesized?

2,4-Dichloro-1,3-thiazole-5-carbonitrile is typically synthesized via the reaction of 2,4-dichlorothiazole with cyanate esters. This process can be conducted in the presence of a suitable base or catalyst to improve yield and selectivity. The reaction is performed under mild conditions to avoid decomposition of the product.

What industries use 2,4-Dichloro-1,3-thiazole-5-carbonitrile (CAS: 82554-18-5)?

2,4-Dichloro-1,3-thiazole-5-carbonitrile has applications in the pharmaceutical industry for use as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry for the production of advanced materials. Additionally, it plays a role in the development of sensors and as a component in semiconductor processes.

What precautions should be taken when handling 2,4-Dichloro-1,3-thiazole-5-carbonitrile (CAS: 82554-18-5)?

When handling 2,4-Dichloro-1,3-thiazole-5-carbonitrile, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In case of spill, avoid contact with water and clean up using absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).