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69004-04-2

Basic Information
CAS No.: 69004-04-2
Name: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfonyl]phenoxy]phenyl]-
Molecular Structure:
Molecular Structure of 69004-04-2 (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfonyl]phenoxy]phenyl]-)
Formula: C18H14F3N3O6S
Molecular Weight: 457.38
Synonyms: ? Ponazuril;BAY-Vi9143;Ponazuril;Toltrazuril sulfone;
EINECS: 629-740-8
Density: 1.507 g/cm3
Melting Point: 242°
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 128.61000
LogP: 2.69950
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  • Toltrazuril sulfone

  • Casno:

    69004-04-2

    Toltrazuril sulfone

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    high quality Storage:Sealed, dry, microtherm , avoid light and smell. Package:According to the demand of customer Application:Organic synthesis Transportation:by air or by sea

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  • Ponazuril

  • Casno:

    69004-04-2

    Ponazuril

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the Ponazuril, CAS:69004-04-2 with the most competitive price and the best quality. We ca

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  • Ponazuril

  • Casno:

    69004-04-2

    Ponazuril

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  • Ponazuril/Toltrazuril sulfone

  • Casno:

    69004-04-2

    Ponazuril/Toltrazuril sulfone

    Min.Order: 0 Metric Ton

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    Specifications Ponazuril 98% 1.White Powder 2.Assay:98% 3.CAS:69004-04-2 Ponazuril CAS Of Ponazuril 69004-04-2 Description of Ponazuril Ponazuril is a drug currently approved for the treatment of equine protozoal myeloe

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Specification

The Toltrazuril sulfone, with the CAS registry number 69004-04-2, is also known as 1-Methyl-3-(4-(p-((trifluoromethyl)sulfonyl)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione. This chemical's molecular formula is C18H14F3N3O6S and molecular weight is 457.38047. Its IUPAC name is called 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione.

Physical properties of Toltrazuril sulfone: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 52.13; (5)ACD/BCF (pH 7.4): 6.49; (6)ACD/KOC (pH 5.5): 572.86; (7)ACD/KOC (pH 7.4): 71.35; (8)#H bond acceptors: 9; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 99.87 cm3; (13)Molar Volume: 303.3 cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.507 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F
(2)InChI: InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
(3)InChIKey: VBUNOIXRZNJNAD-UHFFFAOYSA-N