2-Bromo-5-methyl-1,3,4-thiadiazole

Basic Information

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CAS Number

54044-79-0

Molecular Formula

C3H3BrN2S

Molecular Weight

179.04 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

105-110 °C

Boiling Point

242°C at 760 mmHg

Density

1.830±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

100.1±22.6 ºC,

SMILES

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Cc1nnc(Br)s1

InChI

InChI=1S/C3H3BrN2S/c1-2-5-6-3(4)7-2/h1H3

InChIKey

NSMKWTGDPQHTDH-UHFFFAOYSA-N

LogP

1.60902

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

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

2-Bromo-5-methyl-1,3,4-thiadiazole
1,3,4-Thiadiazole, 2-bromo-5-methyl-
2-bromo-5-methyl-[1,3,4]thiadiazole
5-bromo-2-methyl-1,3,4-thiadiazole
zlchem 706
PubChem15769
ZLD0158
NSMKWTGDPQHTDH-UHFFFAOYSA-N
STK954970
SBB041010
RP24016
2-bromanyl-5-methyl-1,3,4-thiadiazole
BC004035
2-bromo-5-m
2-bromo-5-methyl-1,3,4-thiadiazole

MDL Number

MFCD00518965

Customs Code

2934999090

FAQ

What is 2-Bromo-5-methyl-1,3,4-thiadiazole (CAS: 54044-79-0)?

2-Bromo-5-methyl-1,3,4-thiadiazole is an organic compound with the CAS number 54044-79-0. It is a synthetic chemical with a molecular formula of C5H5BrN3S. This compound is characterized by its sulfur and nitrogen heterocyclic ring system with a bromine and methyl substituent. It is used in various applications such as pharmaceuticals, dyes, and as a precursor in organic synthesis.

What are the main uses of 2-Bromo-5-methyl-1,3,4-thiadiazole (CAS: 54044-79-0)?

2-Bromo-5-methyl-1,3,4-thiadiazole is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs, including antiviral and antifungal agents. It also finds applications in the production of dyes, as a reagent in organic synthesis, and as a functional material in electronic and polymer-based devices.

Is 2-Bromo-5-methyl-1,3,4-thiadiazole (CAS: 54044-79-0) safe?

2-Bromo-5-methyl-1,3,4-thiadiazole (CAS: 54044-79-0) is generally safe when handled with proper precautions. It is important to avoid inhalation, skin contact, and ingestion. Adequate ventilation and protective equipment such as gloves, goggles, and a lab coat should be used during handling. Spills should be cleaned up carefully, and the chemical should be stored in a cool, dry place away from direct sunlight and heat sources.

How should 2-Bromo-5-methyl-1,3,4-thiadiazole (CAS: 54044-79-0) be stored?

2-Bromo-5-methyl-1,3,4-thiadiazole (CAS: 54044-79-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent exposure to air and moisture. The storage area should be well-ventilated to minimize the risk of inhalation. Additionally, it should be stored away from incompatible materials such as oxidizers and strong acids.