Pyraflufen-ethyl

Basic Information

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CAS Number

129630-19-9

Molecular Formula

C15H13Cl2F3N2O4

Molecular Weight

413.2 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

Solubility

Insuluble (1.2E-3 g/L) (25 ºC),

SMILES

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CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl

InChI

InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3

InChIKey

APTZNLHMIGJTEW-UHFFFAOYSA-N

LogP

log Kow = 3.49

Topological Polar Surface Area

62.58 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

480

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

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

Synonyms & References

English

BCP33327
UNII-XOC9Q2DLMI
NS00001488
CHEBI:81828
Pyraflufen-ethyl
XOC9Q2DLMI
PYRAFLUFEN ETHYL ESTER
Thunderbolt
PYRAFLUFEN-ETHYL [ISO]
Q2119649
C18554
HY-126922
ethyl {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate
Tox21_300698
SCHEMBL53390
ET 751
Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate
NCGC00164464-01
CS-0108277
CAS-129630-19-9
HSDB 7498
HERB 1
Pyraflufen-ethyl [ISO:BSI]
ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
DTXSID8034871
Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester
ACETIC ACID, 2-(2-CHLORO-5-(4-CHLORO-5-(DIFLUOROMETHOXY)-1-METHYL-1H-PYRAZOL-3-YL)-4-FLUOROPHENOXY)-, ETHYL ESTER
NCGC00164464-03
MFCD07363861
Potassium Tellurate;Thunderbolt
CHEMBL1905010

MDL Number

MFCD07363861

FAQ

What are the physical and chemical properties of Pyraflufen-ethyl (CAS: 129630-19-9)?

Pyraflufen-ethyl is a crystalline compound with a molecular weight of approximately 257.26 g/mol. It has a low water solubility and is relatively stable under normal conditions. It reacts selectively with certain functional groups and is known for its herbicidal activity.

How is Pyraflufen-ethyl (CAS: 129630-19-9) typically synthesized?

Pyraflufen-ethyl is typically synthesized via a multi-step process involving the condensation of 5-chloro-2-methyl-4-nitrophenol and ethyl 2-(trifluoromethyl)pyridine-3-carboxylate. The reaction is usually catalyzed by a transition metal and yields a high percentage of the desired product, with good selectivity and yield.

What industries use Pyraflufen-ethyl (CAS: 129630-19-9)?

Pyraflufen-ethyl is primarily used in the agricultural industry as a herbicide. It is also studied for its potential applications in pharmaceuticals and environmental science, particularly in selective weed control in crops.

What precautions should be taken when handling Pyraflufen-ethyl (CAS: 129630-19-9)?

When handling Pyraflufen-ethyl, protective equipment such as gloves, safety glasses, and a respirator should be worn. It should be stored in a cool, dry place away from direct sunlight. In case of spill, ensure proper ventilation and use appropriate containment to prevent environmental release. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety guidelines.