Basic information
- Name:
Toltrazuril
- CAS No.:
69004-03-1
- Molecular Structure:

- 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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- 22255-10-3[(3S,6aR,6bS,8aR,11R,12S,12aS,14aS,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate
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Chemistry
Molecular Structure of Toltrazuril (CAS NO.69004-03-1):
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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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