Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

75092-25-0

Molecular Formula

C6H7IN2O2

Molecular Weight

266.04 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

Basic Physical Properties

SMILES

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CN1C=C(C(=N1)C(=O)OC)I

InChI

InChI=1S/C6H7IN2O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,1-2H3

InChIKey

CGLLWUVTXPXZMG-UHFFFAOYSA-N

LogP

0.8112999999999999

Topological Polar Surface Area

44.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

165

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

Methyl4-iodo-1-methyl-1H-pyrazole-3-carboxylate
AMY38625
FT-0757669
A1-24368
CS-0041306
A917762
MFCD19703827
DS-6767
DTXSID50463823
AKOS015901066
Z1269163587
SCHEMBL15277592
75092-25-0
methyl 4-iodo-1-methylpyrazole-3-carboxylate
Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate
EN300-232770
4-iodo-1-methyl-1H-Pyrazole-3-carboxylic acid methyl ester
PubChem23665
1H-Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-, methyl ester
SBB074056
AK139757

MDL Number

MFCD19703827

FAQ

What regulatory guidelines apply to Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0)?

Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0) is subject to regulatory guidelines under the Globally Harmonized System (GHS), including classification for physical hazards, health hazards, and environmental hazards. Additionally, it must comply with REACH regulations in the EU, which require hazard assessment and registration for substances above one tonne per year. In the US, it is regulated by the EPA for environmental protection and by the FDA for pharmaceutical applications, ensuring that it does not pose unreasonable risks to human health or the environment.

Are there alternatives to Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0) in synthesis?

Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0) can be synthesized using alternatives such as methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate or methyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate. These alternatives can serve as precursors in similar reactions, providing similar functionality. Other substitution options include using different carboxylation agents or modifying the pyrazole ring structure.

What is the market or research trend for Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0)?

Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0) is a key intermediate in the development of pharmaceuticals and agrochemicals. Market trends indicate a steady increase in demand due to its use in synthesizing active pharmaceutical ingredients (APIs) and pesticides. Research is focusing on its application in medicinal chemistry, particularly in the design of drugs targeting various diseases such as cancer and neurological disorders.

How should waste containing Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0) be handled?

Waste containing Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate (CAS: 75092-25-0) should be collected and stored in appropriate containers, ensuring proper labeling and segregation. For disposal, it is recommended to use professional waste disposal services to ensure compliance with local and international regulations. Environmental protection measures include incineration or chemical neutralization to minimize environmental impact, with preventive measures to avoid contamination during handling and disposal.