Methyl 4-bromo-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

81190-89-8

Molecular Formula

C5H5BrN2O2

Molecular Weight

205.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

318 ºC

Density

1.781

Flash Point

146 ºC

SMILES

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COC(=O)c1n[nH]cc1Br

InChI

InChI=1S/C5H5BrN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)

InChIKey

KWQDACZQHJCUNK-UHFFFAOYSA-N

LogP

0.9588000000000001

Topological Polar Surface Area

54.98 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 4-bromo-1H-pyrazole-3-carboxylate
1H-Pyrazole-3-carboxylicacid, 4-bromo-, methyl ester
4-BROMO-1H-PYRAZOLE-3-CARBOXYLIC ACID
4-Bromo-1H-pyrazole-3-carboxylic acid methyl ester
methyl 4-bromo-1H-pyrazole-5-carboxylate
BESTIPHARMA 518-955
bromo-4 carbomethoxy-5 pyrazole
1H-Pyrazole-3-carboxylic acid, 4-bromo-, methyl ester

MDL Number

MFCD00619124

Customs Code

2933199090

FAQ

What regulatory guidelines apply to Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8)?

Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8) falls under various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous chemical. For European Union regulation, it is subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. Additionally, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its use and management, particularly in pharmaceutical and industrial applications.

Are there alternatives to Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8) in synthesis?

While Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8) is effective in certain syntheses, there are alternatives such as methyl 4-chloro-1H-pyrazole-3-carboxylate and methyl 4-iodo-1H-pyrazole-3-carboxylate. These brominated analogs can be substituted depending on the specific reaction conditions and the desired product. Common alternative reagents include other halides, which can offer similar functionalities but with different reactivity profiles.

What is the market or research trend for Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8)?

The market for Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8) is closely tied to its applications in pharmaceuticals and agrochemicals. Research trends indicate growing interest in its use as a precursor for synthesizing bioactive compounds. Market dynamics show increasing demand, driven by advancements in drug discovery and the development of new chemical entities. However, due to its hazardous nature, there is also a trend towards exploring safer alternatives and more sustainable synthetic routes.

How should waste containing Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8) be handled?

Handling waste containing Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS: 81190-89-8) requires careful attention to safety. Waste should be collected in appropriate containers and stored in a secure, well-ventilated area. For disposal, it is recommended to use professional waste disposal services that are compliant with local and international regulations. Incineration is a common method, but it should be done in a controlled environment to minimize environmental impact. Additionally, environmental precautions include proper shielding and monitoring to ensure no hazardous materials are released into the environment.