2-Bromo-1,3-thiazole-4-carbonitrile

Basic Information

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CAS Number

848501-90-6

Molecular Formula

C4HBrN2S

Molecular Weight

189.03 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

Melting Point

62-71°C

Boiling Point

276℃ at 760 mmHg

SMILES

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Brc1nc(C#N)cs1

InChI

InChI=1S/C4HBrN2S/c5-4-7-3(1-6)2-8-4/h2H

InChIKey

HTVHRNHOLJNKNO-UHFFFAOYSA-N

LogP

1.77728

Complexity

129

Safety Information

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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

2-Bromo-4-cyanothiazole
2-bromo-1,3-thiazole-4-carbonitrile
2-Bromo-4-isocyano-thiazole
2-bromothiazole-4-carbonitrile
4-Thiazolecarbonitrile,2-bromo-
4-Thiazolecarbonitrile, 2-bromo-
KSC924O1B
HTVHRNHOLJNKNO-UHFFFAOYSA-N
CB0254
FCH876551
MB08173
LS21071
EN001869
AB0030969
AX8158583
X3270
ST24032402

MDL Number

MFCD09909650

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6)?

2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6) is a crystalline solid with a molecular weight of approximately 219.01 g/mol. It has low water solubility and is moderately soluble in polar solvents like dimethylformamide. This compound is known for its high reactivity, particularly towards nucleophiles and reducing agents. It is often used in organic synthesis as a key intermediate.

How is 2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6) typically synthesized?

2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6) is typically synthesized via the reaction of 1,3-thiazole-4-carbonitrile with bromine in the presence of an appropriate solvent and catalyst. The process yields a high purity product with good selectivity, and the reaction is often carried out at room temperature or slightly elevated temperatures.

What industries use 2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6)?

2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6) is primarily used in the pharmaceutical industry as a precursor for drug synthesis. It also finds applications in the semiconductor industry, where it is used in the production of organic semiconductors. Additionally, it is utilized in the development of chemical sensors due to its unique reactivity and stability.

What precautions should be taken when handling 2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6)?

When handling 2-Bromo-1,3-thiazole-4-carbonitrile (CAS: 848501-90-6), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Spills should be handled carefully and cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific guidelines and emergency procedures.