N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide

Basic Information

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CAS Number

101463-69-8

Molecular Formula

C21H11ClF6N2O3

Molecular Weight

488.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

169-172° (dec)

Boiling Point

°Cat760mmHg

Refractive Index

1.573

SMILES

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C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F

InChI

InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)

InChIKey

RYLHNOVXKPXDIP-UHFFFAOYSA-N

LogP

6.530300000000004

Topological Polar Surface Area

67.43 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

689

Safety Information

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GHS Hazard Pictograms

H332

Hazard Statement

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 9 Class 9

Toxicity

LD50 in rats (mg/kg): >3000 orally; >2000 percutaneously (Anderson)

Synonyms & References

English

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluo
DPX EY-059
Q2787491
Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
Flufenoxuron 10 microg/mL in Cyclohexane
MS-29093
Benzamide, N-(((4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)amino)carbonyl)-2,6-difluoro-
N-[[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-fluoranyl-phenyl]carbamoyl]-2,6-bis(fluoranyl)benzamide
NS00003296
AKOS015895780
Cascade
N-(((4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)amino)carbonyl)-2,6-difluorobenzamide
A800390
DTXCID9021978
Flufenoxuron [ISO]
Tox21_300764
N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide
101463-69-8
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
CHEBI:39382
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroanilino]-oxomethyl]-2,6-difluorobenzamide
1-(4-(2-Cloro-alpha,alpha,alpha-P-trifluorotolyloxy)-2-fluorophenyl)-3-(2,6-difluorobenzolyl)urea
Flufenoxuron, PESTANAL(R), analytical standard
1-[4-(2-chloro-4-trifluoromethylphenoxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea
UNII-OD068OSS0N
CHEMBL2287680
Flufenoxuron 1000 microg/mL in Acetone
OD068OSS0N
C18430
InChI=1/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)
NCGC00254668-01

MDL Number

MFCD00274597

FAQ

What are the physical and chemical properties of N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8)?

N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8) is a crystalline solid with a molecular weight of approximately 569.2 g/mol. It has a low solubility in water but is soluble in organic solvents like dimethylformamide (DMF) and dichloromethane. Chemically, it is reactive towards nucleophiles, particularly amino groups, and exhibits good stability under normal storage conditions.

How is N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8) typically synthesized?

N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide is synthesized via a multi-step process involving the coupling of 2,6-difluorobenzamide with an appropriate amino acid derivative. Commonly, the synthesis involves the use of a coupling reagent such as HATU and a base like diisopropylethylamine. The process yields a high purity product with good selectivity and a yield of around 70-75%.

What industries use N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8)?

N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8) is primarily used in the pharmaceutical industry for the development of novel drug candidates. It also finds applications in the synthesis of functional materials and sensors. Its unique chemical structure makes it a valuable intermediate in organic synthesis.

What precautions should be taken when handling N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8)?

When handling N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide (CAS: 101463-69-8), it is crucial to use appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate solvents, and in case of exposure, seek medical attention immediately. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.