ChemicalBook--->CAS DataBase List--->68694-11-1

68694-11-1

68694-11-1 Structure

68694-11-1 Structure
IdentificationBack Directory
[Name]

TRIFLUMIZOLE
[CAS]

68694-11-1
[Synonyms]

nf-114
Condor
Duotop
SSP-11
SS-P-11
PROCURE
TRIFMINE
terraguard
triflumizol
Triumizole-2
Triflumizole2
ene)-o-toluidine
TRIFLUMIZOLE STANDARD
triflumizole (bsi,iso,jmaf)
Triflumizole 250mg [68694-11-1]
1-[N-[4-Chloro-2-(trifluoromethyl)phenyl]-2-propoxyacetimidoyl]-1H-imidazole
4-chloro-α,α,α-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine
4-chloro-alpha,alpha,alpha-trifluoro-n-(1-imidazol-1-yl-2-propoxyethylidene)
(e)-4-chloro-alpha,alpha,alpha-trifluoro-n-(1-imidazol-1-yl-2-propoxyethylid
1-(1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1h-imidazol
1-{1-{[4-Chloro-2-(trifluoromethyl)phenyl]imino}-2-propoxyethyl}-1H-imidazole
(E)1-(1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1Himidazol
(E)4-chloro-α,α,α-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine
1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-(1H-imidazole)
4-Chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline
[Molecular Formula]

C15H15ClF3N3O
[MDL Number]

MFCD00210370
[MOL File]

68694-11-1.mol
[Molecular Weight]

345.75
Chemical PropertiesBack Directory
[Melting point ]

63.5°C
[Boiling point ]

421.2±55.0 °C(Predicted)
[density ]

1.3288 (estimate)
[storage temp. ]

0-6°C
[solubility ]

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

neat
[pka]

3.21±0.10(Predicted)
[color ]

White to off-white
[Henry's Law Constant]

1.9×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Major Application]

agriculture
environmental
[InChI]

1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+
[InChIKey]

HSMVPDGQOIQYSR-KGENOOAVSA-N
[SMILES]

CCCOC\C(=N/c1ccc(Cl)cc1C(F)(F)F)n2ccnc2
[EPA Substance Registry System]

Triflumizole (68694-11-1)
Hazard InformationBack Directory
[Uses]

Triflumizole is an conazole fungicide is an imidazole fungicide used on many food and ornamental crops.
[Chemical Properties]

The pure product is odorless white crystals. Its mp is 63.5°C and its vapor pressure is 1.4×10-6 Pa (25°C). Its solubility at 25°C is: xylene 639 g/L, chloroform 2.22 kg/L, acetone 1.44 kg/L, acetonitrile 1.03 kg/L, hexane 17 g/L, and its solubility in water is 12.5 mg/L.
[Definition]

ChEBI: Triflumizole is a carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of monochlorobenzenes, a member of imidazoles, a member of (trifluoromethyl)benzenes, a carboxamidine, an ether, a conazole fungicide and an imidazole fungicide.
[Production Methods]

The industrial synthesis of triflumizole begins with the preparation of a trifluoromethyl-substituted benzene derivative, which is then reacted with imidazole to form the core fungicidal structure. This process typically involves alkylation and condensation steps under controlled temperature and solvent conditions to ensure high yield and purity.
[Mechanism of action]

Systemic with protective and curative action. Inhibitors of chitin biosynthesis.
[Pesticide Type]

Fungicide
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H411
[Precautionary statements ]

P273-P301+P312+P330
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-51/53
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[RTECS ]

NI4490000
[HS Code ]

29332900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 1B
Skin Sens. 1
STOT RE 2
[Hazardous Substances Data]

68694-11-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Triethylamine-->PHOSGENE-->Imidazole-->Propoxyacetic acid-->Triflumizole
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