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69004-15-5

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69004-15-5 Structure

69004-15-5 Structure
IdentificationBack Directory
[Name]

1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
[CAS]

69004-15-5
[Synonyms]

Toltrazuril sulfoxide
rac Toltrazuril Sulfoxide
Toltrazuril Sulfoxide Standard
1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfinyl]phenoxy]phenyl]-
[Molecular Formula]

C18H14F3N3O5S
[MDL Number]

MFCD10567359
[MOL File]

69004-15-5.mol
[Molecular Weight]

441.38
Chemical PropertiesBack Directory
[Melting point ]

>212°C (dec.)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

neat
[color ]

White to Off-White
[Major Application]

forensics and toxicology
pharmaceutical (small molecule)
veterinary
[InChI]

1S/C18H14F3N3O5S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)29-12-4-6-13(7-5-12)30(28)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
[InChIKey]

QWKYIPKCLAUFCM-UHFFFAOYSA-N
[SMILES]

CN1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(cc3)S(=O)C(F)(F)F)c(C)c2
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410-H400
[Precautionary statements ]

P273-P391-P501-P273-P391-P501
[WGK Germany ]

3
[HS Code ]

2933699090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Toltrazuril metabolite.
[IC 50]

Coccidia
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