1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione | CAS No. 69004-03-1

1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

Basic Information

CAS Number

69004-03-1

Molecular Formula

C18H14F3N3O4S

Molecular Weight

425.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

192-196°C

Density

1.5400

CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)

InChIKey

OCINXEZVIIVXFU-UHFFFAOYSA-N

LogP

2.937120000000001

Topological Polar Surface Area

86.09 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

655

Safety Information

View Safety Information

GHS Hazard Pictograms

H410H410

Hazard Statement

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

Synonyms & References

English

  • NSC759176
  • 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
  • HMS3715K22
  • Toltrazuril, VETRANAL(TM), analytical standard
  • 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
  • 1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
  • SBI-0206811.P001
  • UNII-QVZ3IAR3JS
  • CHEBI:93130
  • DTXCID10141554
  • NSC-759176
  • Bay-i 9142
  • 69004-03-1
  • TOLTRAZURIL [USAN]
  • PROCOX COMPONENT TOLTRAZURIL
  • 1-methyl-3-{3-methyl-4-(4-(trifluoromethylthio)phenoxy)phenyl}-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
  • 1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione
  • BRD-K64514229-001-01-1
  • Toltrazurilo
  • HMS2090D08
  • SW199566-2
  • A836306
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,?1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-
  • Toltrazuril
  • Toltrazurilum [Latin]
  • 1-methyl-3-(3-methyl-4-(4-(trifluoromethylthio)phenoxy)phenyl)-1,3,5-triazinane-2,4,6-trione
  • AC-792
  • CHEMBL2104931
  • AKOS015889482
  • FT-0630780
  • Pharmakon1600-01505681

MDL Number

MFCD00867201

Customs Code

2933699090

FAQ

What is 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione (CAS: 69004-03-1)?

1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione is a synthetic organic compound with the CAS number 69004-03-1. It is characterized by its complex structure, containing a triazinane ring with multiple substituents, including a trifluoromethylsulfanyl group. This compound is known for its stability and reactivity in chemical reactions, making it valuable in specialized applications.

What are the main uses of 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione (CAS: 69004-03-1)?

This compound is primarily used in pharmaceutical research as a potential inhibitor of specific enzymes. It also finds applications in organic synthesis as a versatile building block. Due to its chemical stability, it may be used in industrial processes and as a research tool in chemical and biological studies.

Is 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione (CAS: 69004-03-1) safe?

Safety data for this compound is limited, but it is generally considered to have moderate toxicity based on available studies. Proper handling, including the use of personal protective equipment (PPE), is essential. It should be stored in a secure, well-ventilated area to minimize exposure risks and ensure compliance with safety standards for chemical handling.

How should 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione (CAS: 69004-03-1) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at room temperature (15-25°C). It is sensitive to moisture and light, so it must be kept in a sealed container with desiccant and away from direct sunlight. Avoid exposure to air and maintain controlled humidity levels to ensure stability and prolong shelf life.

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