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

Basic Information

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CAS Number

128621-72-7

Molecular Formula

C13H10Cl2F3N3O3

Molecular Weight

384.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

-22.1°C

Boiling Point

350～335°C

Density

1.6700

SMILES

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Cc1nn(c(=O)n1C(F)F)c2cc(c(cc2F)Cl)CC(C(=O)O)Cl

InChI

InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)

InChIKey

YHKBGVDUSSWOAB-UHFFFAOYSA-N

LogP

2.76452

Topological Polar Surface Area

77.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

552

Synonyms & References

English

carfentrazone-ethyl
Affinty
ethyl (RS)-2-chloro-3-(2-chloro-5-(4-difluirimethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)propionate
ethyl-2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorobenzenepropanate
carfentrazone (free acid)
CARFENTRAZONE
ethyl-(RS)-2-chloro-3-[2-chloro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol)-4-fluorophenyl] propionate
F 116426
F 8426
2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid
(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}propionic acid
BEN309
rac-(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}propanoic acid
Carfentrazon
Carfentrazone Solution, 1000ppm
Carfentrazone (free acid), 100 μg
μL in Acetonitrile
Carfentrazone (free acid), 100 μg /μL in Acetonitrile
2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)propanoic acid

MDL Number

MFCD09751191

FAQ

What is 2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid (CAS: 128621-72-7)?

2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid is a derivative of 1,2,4-triazole with unique structural features. It exhibits potential in pharmaceutical and chemical research applications due to its specific functional groups and substitutions.

What are the main uses of 2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid (CAS: 128621-72-7)?

The compound is primarily used in the development of pharmaceuticals, particularly for its potential anti-inflammatory and anticancer properties. It also finds application in research for studying the effects of 1,2,4-triazole derivatives.

Is 2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid (CAS: 128621-72-7) safe?

The safety of 2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid depends on the conditions of use. It is important to follow all recommended safety guidelines, including wearing appropriate personal protective equipment and handling in a well-ventilated area. Exposure to this compound should be limited to minimize health risks.

How should 2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid (CAS: 128621-72-7) be stored?

2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to use a tightly closed container to prevent degradation and ensure the integrity of the compound. Avoid contact with moisture and incompatible materials.