Basic information
- Name:
Trifloxystrobin
- CAS No.:
141517-21-7
- Molecular Structure:
- Formula:
- C20H19F3N2O4
- Molecular Weight:
- 408.37
- Deleted CAS:
- 221007-60-9
- Synonyms:
- CGA 279202;Compass;Compass (strobilurin fungicide);Consist;Flint;Flint (fungicide);Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-,methyl ester, (aE)-;Trilex;Zato;
- Density:
- 1.219 g/cm3
- Boiling Point:
- 470.345 °C at 760 mmHg
- Flash Point:
- 238.256 °C
- Hazard Symbols:
Xi, 
N- Risk Codes:
- 43-50/53
- Safety Description:
- 24-37-46-60-61 Details
- Transport Information:
- UN3077 9/PG 3
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Chemistry
Molecule structure of Trifloxystrobin (CAS NO.141517-21-7):
IUPAC Name: Methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Molecular Weight: 408.37107 g/mol
Molecular Formula: C20H19F3N2O4
Density: 1.219 g/cm3
Boiling Point: 470.345 °C at 760 mmHg
Flash Point: 238.256 °C
Index of Refraction: 1.511
Molar Refractivity: 100.339 cm3
Molar Volume: 335.005 cm3
Surface Tension: 34.604 dyne/cm
Enthalpy of Vaporization: 73.288 kJ/mol
Storage Temp.: 0-6 °C
XLogP3-AA: 4.9
H-Bond Acceptor: 9
Rotatable Bond Count: 8
Exact Mass: 408.129692
MonoIsotopic Mass: 408.129692
Topological Polar Surface Area: 69.5
Heavy Atom Count: 29
Canonical SMILES: CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F
Isomeric SMILES: C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F
InChI: InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
InChIKey: ONCZDRURRATYFI-TVJDWZFNSA-N
Classification Code of Trifloxystrobin (CAS NO.141517-21-7): Fungicide; Pesticide
Safety Profile
Hazard Codes: 
Xi, 
N
Risk Statements: 43-50/53
R43:May cause sensitization by skin contact.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 24-37-46-60-61
S24:Avoid contact with skin.
S37:Wear suitable gloves.
S46:If swallowed, seek medical advice immediately and show this container or label.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3077 9/PG 3
Specification
Trifloxystrobin (CAS NO.141517-21-7) is also named as Methyl methoxyimino(alpha-(1-(alpha,alpha,alpha-trifluoro-3-
tolyl)ethylideneaminooxy)-2-tolyl)acetate ; CGA 279202 ; Compass ; Consist ; EINECS Annex I Index 607-424-00-0 ; Flint ; Flint (fungicide) ; HSDB 7276 ; Zato ; trifloxy-strobin ; Benzeneacetic acid, alpha-(methoxyimino)-2-((((1-(3-
(trifluoromethyl)phenyl)ethylidene)amino)oxy)methyl)-, methyl ester, (E,E)- .