methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate

Basic Information

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CAS Number

514816-42-3

Molecular Formula

C6H7BrN2O2

Molecular Weight

219.04 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

Boiling Point

276.5±20.0 ºC (760 Torr),

Density

1.67±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

121.0±21.8 ºC,

SMILES

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

InChI

InChI=1S/C6H7BrN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3

InChIKey

XOGHZBXSBLBJHQ-UHFFFAOYSA-N

LogP

0.9692

Topological Polar Surface Area

44.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

165

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
1H-pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl ester
methyl 4-bromo-2-methylpyrazole-3-carboxylate
methyl 4-bromo-1-methylpyrazole-5-carboxylate
XOGHZBXSBLBJHQ-UHFFFAOYSA-N
STK315996
SBB050133
BBL013090
4693AE
ST005505
BB 0255204
Methyl 4-bromo-
514816-42-3
Methyl 4-bromo-2-methyl-pyrazole-3-carboxylate
MFCD01459850
ALBB-009951
EN300-232375
DTXSID50350087
AS-39454
AC-30767
AKOS003744475
METHYL4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
SY082288
A1-24367
Methyl 4-bromo-2-methyl-2H-pyrazole-3-carboxylate
SCHEMBL4813243
A871272
DA-05310
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl ester
CS-W000414
AMY12037

MDL Number

MFCD01459850

FAQ

What regulatory guidelines apply to methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3)?

Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3) falls under the classification of organic chemicals and is subject to various regulatory guidelines. It is important to follow the Chemicals Regulation Directive (CRD) and Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) in the European Union. In the United States, it must comply with the Toxic Substances Control Act (TSCA) and the Environmental Protection Agency (EPA) guidelines. Additionally, the Occupational Safety and Health Administration (OSHA) provides workplace safety standards.

Are there alternatives to methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate in synthesis?

For the synthesis of compounds similar to methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3), there are several alternatives available. Some common substitutes include methyl pyrazole-5-carboxylate and methyl 4-chloro-1-methyl-1H-pyrazole-5-carboxylate. These alternatives can be used depending on the specific requirements of the reaction and the desired product.

What is the market or research trend for methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3)?

The market for methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3) is currently focused on its use in pharmaceutical and agrochemical industries. Research trends show an increasing interest in its potential as a precursor for drug synthesis and as an active ingredient in pest control solutions. However, due to its high reactivity and potential toxicity, further research is needed to establish its safety and efficacy in these applications.

How should waste containing methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3) be handled?

Waste containing methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate (CAS: 514816-42-3) should be collected and disposed of in accordance with local and national regulations. It is recommended to neutralize the waste first to reduce its hazardous properties. Incineration is a common method for disposing of this waste, but professional waste disposal services should be utilized to ensure proper handling and disposal. Always follow the guidelines provided by the regulatory bodies such as the EPA and OSHA to minimize environmental impact.