Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate

Basic Information

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CAS Number

128639-02-1

Molecular Formula

C15H14Cl2F3N3O3

Molecular Weight

412.2 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

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

-22.1°

Boiling Point

bp 760 350-355°

Flash Point

>110°C

Refractive Index

1.574

SMILES

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CCOC(=O)C(Cc1cc(c(cc1Cl)F)n2c(=O)n(c(n2)C)C(F)F)Cl

InChI

InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3

InChIKey

MLKCGVHIFJBRCD-UHFFFAOYSA-N

LogP

3.2430200000000022

Topological Polar Surface Area

66.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

582

Safety Information

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Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in rats (mg/kg): 5143 orally (female); >4000 dermally (Van Saun)

Synonyms & References

English

Carfentrazone-Ethyl
Carfentrazone-ethyl Solution
ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
carfentrazoneethyl
ethyl (RS)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionate
ethyl α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoate
rac-ethyl (2R)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate
AURORA
AFFINITY
Aurora 50wg
CARFENTRAZON ETHYL
Aurora (pesticide)
Carfentrazole-ethyl
Carfentrazone-ethyl Standard
Carfentrazone-ethyl [iso:bsi]
carfentrazone-ethyl (bsi, pa iso)
Ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
CARFENTRAZONE-ETHYL
ethyl 2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)propanoate

MDL Number

MFCD03792738

FAQ

What regulatory guidelines apply to Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1)?

Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1) falls under the scope of REACH regulations in the European Union, which require registration, evaluation, authorization, and restriction of chemical substances. In the U.S., it may be regulated by the FDA and EPA for safety and environmental concerns. Users must comply with local and international regulatory guidelines for its transportation, storage, and disposal.

Are there alternatives to Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1) in synthesis?

Several alternatives such as Ethyl 2-chloro-3-(4-chloro-2-fluoro-5-iodophenyl)propanoate or related triazole derivatives can be used as alternatives to Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1) depending on the specific reaction conditions and desired properties. These alternatives offer similar functionalities and may be more readily available or easier to synthesize.

What is the market or research trend for Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1)?

The market for Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1) is part of the broader market for triazole derivatives, which are extensively used in pharmaceuticals, agrochemicals, and materials science. Research trends indicate an increasing interest in the development of new triazole-based compounds for therapeutic applications, highlighting this compound's potential in drug discovery and synthesis.

How should waste containing Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1) be handled?

Waste containing Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate (CAS: 128639-02-1) should be collected in appropriate containers, labeled with the substance name and date, and disposed of according to local waste management regulations. Professional incineration or chemical treatment methods may be necessary to ensure safe disposal. All handling should be performed under protective measures to prevent exposure and environmental contamination.