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Basic information

  • Name:
  • Toltrazuril

  • CAS No.:
  • 69004-03-1

  • Formula:
  • C18H14F3N3O4S
  • Synonyms:
  • Bay-i 9142;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1- methyl-3-[3-methyl-4-[4-[(trifluoromethyl)- thio]phenoxy]phenyl]-;1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione;Toltrazuril 99%;
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Chemistry

Molecular Structure of Toltrazuril (CAS NO.69004-03-1):

IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione 
Empirical Formula: C18H14F3N3O4S
Molecular Weight: 425.3817
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 95.46Å2
Index of Refraction: 1.64
Molar Refractivity: 99.06 cm3
Molar Volume: 274.8 cm3
Surface Tension: 63.5 dyne/cm
Density: 1.54 g/cm3
Storage temp: 0-6°C
Product Categories: Veterinaries
InChI
InChI=1/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)
Smiles
c1(n(c(n(c([nH]1)=O)C)=O)c1cc(c(Oc2ccc(cc2)SC(F)(F)F)cc1)C)=O

Safety Profile

The Hazard Codes of Toltrazuril (CAS NO.69004-03-1): N, Xi
The Risk Statements:
36/37/38:  Irritating to eyes, respiratory system and skin 
50/53:  Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 
The Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
60:  This material and/or its container must be disposed of as hazardous waste 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 
37/39:  Wear suitable gloves and eye/face protection 
RIDADR: UN 3077

Specification

  Toltrazuril , with CAS number of 69004-03-1, can be called 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)- ; 1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-
triazine-2,4,6(1H,3H,5H)-trione . Toltrazuril (CAS NO.69004-03-1) is a coccidiostat.

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