N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide

Basic Information

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CAS Number

94125-34-5

Molecular Formula

C15H16F3N5O4S

Molecular Weight

419.39 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

155° (dec)

Boiling Point

°Cat760mmHg

Density

1.462

Refractive Index

1.547

SMILES

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O=S(C1=CC=CC=C1CCC(F)(F)F)(NC(NC2=NC(OC)=NC(C)=N2)=O)=O

InChI

InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)

InChIKey

LTUNNEGNEKBSEH-UHFFFAOYSA-N

LogP

2.1939200000000003

Topological Polar Surface Area

123.16999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

628

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 9 Class 9

Toxicity

LD50 orally in rats: 986 mg/kg; dermally in rabbits: >2000 mg/kg; LC50 (4 hr) by inhalation in rats: >5000 mg/m3 (Schulte)

Synonyms & References

English

Prosulfuron
N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide.
Prosulfuron Solution
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea
EXCEED
N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzene-1-sulfonamide
N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide
PEAK
PROSULFURON PESTANAL,100 MG
PROSULPHURON
N-[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (ACI)
CGA 152005
N-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-N′-[2-(3,3,3-trifluoroprop-1-yl)benzenesulfonyl]urea
Peak
Peak 57WG
Pik
1-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea

MDL Number

MFCD01863141

FAQ

What is N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5)?

N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5) is a triazole derivative with unique chemical properties. It is used in pharmaceutical applications and as an intermediate in the synthesis of other compounds. The compound has a molecular formula of C17H14F3N5O3S and is characterized by its stability and specific functional groups.

What are the main uses of N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5)?

N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of active pharmaceutical ingredients. It is also used in research for its unique chemical properties.

Is N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5) safe?

N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5) is generally safe when handled with appropriate precautions. It is important to follow safety guidelines such as wearing protective gloves, goggles, and a lab coat. Avoid contact with skin and eyes, and ensure proper ventilation. In case of accidental ingestion or contact, seek medical attention immediately.

How should N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5) be stored?

N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzenesulfonamide (CAS: 94125-34-5) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent degradation. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 60%. Proper labeling is essential to ensure safe handling and storage.