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Carfentrazone

Carfentrazone structure

CAS No:
128621-72-7
Formula:
C13H10Cl2F3N3O3
Chemical Name:
Carfentrazone
Synonyms:
Benzenepropanoic acid,α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-;α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid;Carfentrazone;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;Aim EC;Oratio
Categories:
Agrochemicals > Herbicides

Description

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 member of the class of triazoles that is 2,4-dihydro-3H-1,2,4-triazol-3-one which is substituted at positions 2, 4, and 5 by 5-(2-carboxy-2-chloroethyl)-4-chloro-2-fluorophenyl, difluoromethyl, and methyl groups, respectively. It is a member of triazoles, a member of monochlorobenzenes, a member of monofluorobenzenes and a monocarboxylic acid.

Carfentrazone Basic Attributes

Molecular Weight：

384.14

Exact Mass：

384.14

EC Number：

603-289-7

Characteristics

PSA：

73.2

XLogP3：

2.27

Appearance：

viscous yellow liquid

Density：

1.7±0.1 g/cm3

Boiling Point：

472.8±55.0 °C at 760 mmHg

Flash Point：

239.7±31.5 °C

Refractive Index：

1.610

Vapor Pressure：

9.63E-10mmHg at 25°C

Carfentrazone Use and Manufacturing

Methods of Manufacturing

4-chloro-2-fluoroaniline is obtained by acylation, chlorination and hydrolysis of o-fluoroaniline; the corresponding substituted phenylhydrazine is obtained by diazotization reduction, and then condensed with pyruvic acid and diphenylphosphoryl azide The corresponding triazolinone was prepared by the reaction, mp189～191℃; the triazolinone reacted with chlorofluoromethane and then nitrated and reduced; then diazotized and reacted with ethyl acrylate to obtain carfentrazone-ethyl .

Uses

Triazolinone herbicide.

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

(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 is a known environmental transformation product of carfentrazone-ethyl.|F8426-chloropropionic acid is a known environmental transformation product of Carfentrazone-ethyl.

Computed Properties

Molecular Weight:384.13
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:383.0051311
Monoisotopic Mass:383.0051311
Topological Polar Surface Area:73.2
Heavy Atom Count:24
Complexity:552
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Carfentrazone

Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

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Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

carfentrazone-ethyl

Unit Price: $1 /KG EXW

CAS No.: 128621-72-7

Grade: pharmaceutical grade

Content: 99%

Inquiry
Shandong Ailike New Material Technology Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of API,Antibiotics,Anti cancer category

carfentrazone-ethyl

Unit Price: $1 /KG EXW

CAS No.: 128621-72-7

Grade: pharmaceutical grade

Content: 99%

Inquiry