N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide

Basic Information

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CAS Number

83164-33-4

Molecular Formula

C19H11F5N2O2

Molecular Weight

394.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

159.0 to 163.0 deg-C

Boiling Point

376.2°C at 760 mmHg

Density

1.4301 (estimate)

Flash Point

181.3 °C

Refractive Index

1.573

SMILES

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C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F

InChI

InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)

InChIKey

WYEHFWKAOXOVJD-UHFFFAOYSA-N

LogP

5.423200000000002

Topological Polar Surface Area

51.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

533

Safety Information

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GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in mice, rats (mg/kg): >1000, >2000 orally; in rats (mg/kg): >2000 dermally (Cramp)

Synonyms & References

English

Diflufenicanil
3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-
C19H11F5N2O2
N-(2,4-Difluorophenyl)-2-(3-(trifluoromethyl)phenoxy)-3-pyridinecarboxamide
NCGC00166198-01
Q424793
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide
CS-W020946
DIFLUFENICAN [MI]
Diflufenican, PESTANAL(R), analytical standard
83164-33-4
FENICAN
UNII-3T8D1VDO6K
NS00008837
C18549
SCHEMBL22023
MS-3566
ARDENT
CHEBI:81824
Diflufenican 10 microg/mL in Acetone
Diflufenican 10 microg/mL in Acetonitrile
CAS-83164-33-4
Diflufenican 100 microg/mL in Acetonitrile
NCGC00254722-01
BRODAL
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
N-(2,4-Difluorophenyl)-2-(3-(trifluoromethyl)phenoxy)nicotinamide
CHEMBL1425995
HMS2460K07
RPA-41670H
AKOS005110259

MDL Number

MFCD01311804

FAQ

What is N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4)?

N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4) is a synthetic organic compound with a complex structure featuring a nicotinamide core, a 2,4-difluorophenyl group, and a 3-(trifluoromethyl)phenoxy substituent. It is a white crystalline solid with high molecular complexity, commonly used in specialized chemical research. Its chemical formula is C16H12F5N2O2, and it exhibits stability under controlled conditions.

What are the main uses of N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4)?

N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4) is primarily utilized in pharmaceutical research as a potential inhibitor for enzyme targets. It also serves in organic synthesis and as a building block for developing agrochemicals. Its unique structure makes it valuable for studying fluorinated compounds and their biological activities in drug discovery applications.

Is N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4) safe?

N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4) requires careful handling due to its potential toxicity. While specific data may vary, it is generally considered hazardous if inhaled or ingested. Protective measures include wearing gloves, goggles, and a lab coat, and working in a well-ventilated area. Safety standards emphasize adherence to chemical hygiene protocols and avoiding skin contact.

How should N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4) be stored?

N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]nicotinamide (CAS: 83164-33-4) should be stored in a tightly sealed, dry container at 2-8°C to maintain stability. Protection from light and moisture is essential to prevent degradation. It is recommended to store in a cool, well-ventilated area away from incompatible substances to ensure long-term preservation and safety.