Methyl 2,5,6-trichloropyrimidine-4-carboxylate

Basic Information

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CAS Number

89284-85-5

Molecular Formula

C6H3Cl3N2O2

Molecular Weight

241.46 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

Melting Point

46-49°

Boiling Point

342.7℃ at 760 mmHg

Density

1.613±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl

InChI

InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3

InChIKey

TVFOOGACHSHHSX-UHFFFAOYSA-N

LogP

2.2234

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

204

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 2,5,6-trichloropyrimidine-4-carboxylate
4-Pyrimidinecarboxylicacid, 2,5,6-trichloro-, methyl ester
METHYL 2,5,6-TRICHLORO-4-PYRIMIDINECARBOXYLATE
NSC 64342
NSC64342
NCIOpen2_002887
TVFOOGACHSHHSX-UHFFFAOYSA-N
SBB099466
4747AC
SB21821
NCI60_014682
SY233092
ST1141082
6-methoxycarbony-2,4,5-trichloropyrimidine
6-methoxycarbonyl-2,4,
Methyl 2,5,6-trichloro-4-pyrimidinecarboxylate (ACI)
2,5,6-Trichloro-pyrimidine-4-carboxylic acid methyl ester
6-Methoxycarbonyl-2,4,5-trichloropyrimidine
methyl 2,5,6-trichloropyrimidine-4-carboxylate
89284-85-5
CHEMBL2003186
methyl 2,5,6-trichloro-4-pyrimidinecarboxylate
P11334
SCHEMBL117827
methyl2,5,6-trichloropyrimidine-4-carboxylate
AKOS005072014
CS-0045736
J-521894
2,5,6-trichloro-pyrimidine-4-carboxylic acid methyl ester
MFCD12025876
C6H3Cl3N2O2

MDL Number

MFCD12025876

Customs Code

2933599090

FAQ

What regulatory guidelines apply to Methyl 2,5,6-trichloropyrimidine-4-carboxylate (CAS: 89284-85-5)?

Methyl 2,5,6-trichloropyrimidine-4-carboxylate (CAS: 89284-85-5) is subject to the REACH regulations in the EU, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA) if they are produced or imported in quantities exceeding one tonne per year. It is also classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which mandates specific hazard communication, such as proper labeling and safety data sheets. Additionally, the compound may be regulated under the Toxic Substances Control Act (TSCA) in the United States and the Environmental Protection Agency (EPA) guidelines.

Are there alternatives to Methyl 2,5,6-trichloropyrimidine-4-carboxylate in synthesis?

Several alternatives to Methyl 2,5,6-trichloropyrimidine-4-carboxylate can be considered in synthesis, depending on the specific requirements of the reaction. Common alternatives include other pyrimidine derivatives with different substituents, such as methyl 2,5-dichloropyrimidine-4-carboxylate, or using different starting materials like 5-chloropyrimidine-2,4-dione. These alternatives may offer different reactivity profiles and synthetic advantages.

What is the market or research trend for Methyl 2,5,6-trichloropyrimidine-4-carboxylate?

The market trend for Methyl 2,5,6-trichloropyrimidine-4-carboxylate is influenced by its applications in pharmaceuticals and agriculture. Research is ongoing to explore its potential in antimicrobial and herbicidal properties. Market trends show a steady demand, with increasing focus on sustainable and environmentally friendly formulations. Emerging research fields include the development of new synthetic routes and the exploration of its bioavailability and efficacy in various applications.

How should waste containing Methyl 2,5,6-trichloropyrimidine-4-carboxylate (CAS: 89284-85-5) be handled?

Waste containing Methyl 2,5,6-trichloropyrimidine-4-carboxylate (CAS: 89284-85-5) should be handled with caution due to its hazardous nature. Waste liquid should be collected in appropriate containers and neutralized if necessary. Incineration is a common method for disposal, but this should be conducted at a professional facility to ensure compliance with environmental regulations. Environmental protection precautions include proper containment to prevent leaks and spills, and regular monitoring of soil and water quality in the vicinity.