2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

Basic Information

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CAS Number

219714-96-2

Molecular Formula

C16H14F5N5O5S

Molecular Weight

483.38 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

223-224°

Boiling Point

°Cat760mmHg

Density

1.7±0.1 g/cm3

Refractive Index

1.588

SMILES

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O=S(C1=C(C(F)(F)F)C=CC=C1OCC(F)F)(NC2=NN3C(OC)=NC=C(OC)C3=N2)=O

InChI

InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)

InChIKey

SYJGKVOENHZYMQ-UHFFFAOYSA-N

LogP

2.6049999999999995

pKa

5.1(at 25℃)

Topological Polar Surface Area

116.94 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

727

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

Toxicity

LD50 (mg/kg): >5000 orally in rats; >5000 dermally in rabbits; LC50 (8 day) in bobwhite quail, mallard duck (ppm): >4411, >4310; LC50 (96 hr) in rainbow trout, bluegill sunfish, common carp (mg/l): >102, >103, >101 (Larelle)

Synonyms & References

English

Benzenesulfonamide,2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)-
Penoxsulam
2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Benzenesulfonamide,2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl...
2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzene-1-sulfonamide
2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
3-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-α,α,α-trifluorotoluene-2-sulfonamide
Granite
Penoxsulam [ISO]
UNII-784ELC1SCZ
2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
3-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-α,α,α-trifluorotoluene-2-sulfonamide

MDL Number

MFCD07363876

FAQ

What is 2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (CAS: 219714-96-2)?

This compound is a complex chemical structure used in pharmaceutical research. Its detailed formula is 2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, with a CAS number of 219714-96-2.

What are the main uses of 2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (CAS: 219714-96-2)?

This compound is primarily used in the development of pharmaceuticals, particularly in the research of antiviral and anticancer drugs. It is also used in certain chemical synthesis processes.

Is 2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (CAS: 219714-96-2) safe?

While generally safe under controlled conditions, this compound should be handled with caution due to its chemical composition. Proper protective equipment should be worn, and it should be stored in a cool, dry place away from direct light. Follow all safety guidelines and wear gloves and goggles during handling.

How should 2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (CAS: 219714-96-2) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include a temperature range of 2-8°C and a maximum relative humidity of 60%. Ensure the container is airtight to prevent moisture and air from affecting the compound.