N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide

Basic Information

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CAS Number

142469-14-5

Molecular Formula

C13H9F6N5O4S

Molecular Weight

445.3 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Density

1.6±0.1 g/cm3

Refractive Index

1.516

SMILES

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COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)

InChIKey

KVEQCVKVIFQSGC-UHFFFAOYSA-N

LogP

2.4282000000000004

Topological Polar Surface Area

123.16999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

683

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

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

Synonyms & References

English

A807913
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea
NS00000377
J-007660
Tritosulfuron, PESTANAL(R), analytical standard
Tritosulfuron [ISO]
KVEQCVKVIFQSGC-UHFFFAOYSA-N
AKOS015895928
SCHEMBL53993
BAS-635
142469-14-5
TRITOSULFURON PESTANAL
1-(4-METHOXY-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZIN-2-YL)-3-(2-(TRIFLUOROMETHYL)BENZENESULFONYL)UREA
DTXSID9057975
N-[(4-Methoxy-6-trifluoromethyl-1,3,5-triazin-2-yl)aminocarbonyl]-2-(trifluoromethyl)benzenesulfonamide
N-((4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl)carbamoyl)-2-(trifluoromethyl)benzenesulfonamide
U9927AJG71
N-(((4-METHOXY-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZIN-2-YL)AMINO)CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonyl-urea
UNII-U9927AJG71
N-((4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl)-carbamoyl)-2-(trifluoromethyl)benzenesulfonamide
Tritosulfuron
CHEBI:83500
N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide
FT-0659315
KVEQCVKVIFQSGC-UHFFFAOYSA-M
Benzenesulfonamide,N-[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)-
BIATHLON
TRITOSULFURON [MI]
TOOLER

MDL Number

MFCD06798291

FAQ

What are the physical and chemical properties of N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5)?

N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5) is a crystalline compound with a molecular weight of approximately 522.1 g/mol. It has low aqueous solubility and excellent solubility in organic solvents like DMSO. This compound is highly reactive, particularly towards nucleophiles, and can participate in a variety of chemical reactions, including substitution and addition reactions.

How is N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5) typically synthesized?

N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5) is synthesized via the condensation of 2-(trifluoromethyl)benzenesulfonamide with 4-methoxy-6-(trifluoromethyl)-1,3,5-triazine. The reaction is typically catalyzed by a Lewis acid such as aluminum chloride, and the product shows high yield and selectivity.

What industries use N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5)?

N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5) is used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the polymer industry for the modification of polymers, in sensors for detection purposes, and in semiconductors for specific chemical treatments.

What precautions should be taken when handling N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5)?

When handling N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide (CAS: 142469-14-5), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to minimize exposure. In the event of a spill, neutralize the material with an appropriate reagent and dispose of it according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information.