5-Bromo-1,2,4-thiadiazole

Basic Information

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CAS Number

43201-13-4

Molecular Formula

C2HBrN2S

Molecular Weight

165.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

27.5-28 ºC

Boiling Point

214.3±23.0 ºC (760 Torr),

Flash Point

83.4±22.6 ºC,

SMILES

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Brc1ncns1

InChI

InChI=1S/C2HBrN2S/c3-2-4-1-5-6-2/h1H

InChIKey

UBUUGFLYVXDUPG-UHFFFAOYSA-N

LogP

1.3006

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

50.8

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

5-Bromo-1,2,4-thiadiazole
1,2,4-THIADIAZOL-5-AMINE
5-bromo-[1,2,4]thiadiazole
[1,2,4]Thiadiazol-5-ylamine
BCP25800
CT0236
SY029598
AB0052003
ST24029331
Z4751
A25424
5-bromo-1,2,4-thiadiazole

MDL Number

MFCD19687255

FAQ

What are the physical and chemical properties of 5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4)?

5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4) is a crystalline solid with a molecular weight of approximately 194.01 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is moderately reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but requires storage in a dry environment to prevent hydrolysis.

How is 5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4) typically synthesized?

5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4) is typically synthesized by bromination of 1,2,4-thiadiazole using N-bromosuccinimide (NBS) in an organic solvent like dichloromethane. The reaction is usually carried out at room temperature, and the product can be purified by recrystallization from ethanol. The yield is generally good, and the method is selective for bromination of the thiadiazole ring.

What industries use 5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4)?

5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4) is used in various industries. It is commonly utilized in pharmaceuticals for the synthesis of medicinal compounds, in polymers to enhance their properties, and in sensors for detecting gases and other compounds. Additionally, it is used in the production of semiconductor materials due to its unique electronic properties.

What precautions should be taken when handling 5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4)?

When handling 5-Bromo-1,2,4-thiadiazole (CAS: 43201-13-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or under a fume hood. In case of a spill, it should be cleaned up with care, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.