triflumizole

Description

triflumizole · CAS 99387-89-0 · C15H15ClF3N3O. UNII 7J6Y4H9MV5. Melting Point: 63.5 °C; Melting Point: 63 °C; Density: 1.4 g/cm³.

Identification

CAS Registry Number	99387-89-0
PubChem CID	91699
Molecular formula	C15H15ClF3N3O
IUPAC name	N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
UNII (FDA)	7J6Y4H9MV5

Computed Descriptors

Molecular Weight	345.75
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	345.0855743
Monoisotopic Mass	345.0855743
Topological Polar Surface Area	39.4
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Melting Point	63.5 °C
Melting Point	63 °C
Density	1.4 g/cm³
Vapor Pressure	0.0000014 [mmHg]
Vapor Pressure	1.4X10-6 mm Hg at 25 °C
LogP	4.5
Dissociation Constants	pKa = 3.70 at 25 °C
Collision Cross Section	177.09 Ų [M+H]+

Physical description & handling notes

• COLOURLESS CRYSTALS.
• Colorless crystals
• No boiling point at normal pressure; decomposes at 150 °C
• In water, 10.2 mg/L at 20 °C and pH 7
• In chloroform = 2.22 mg/L at 20 °C; hexane = 0.0176 mg/L at 20 °C; xylene = 0.639 mg/L at 20 °C; acetone = 1.44 mg/L at 20 °C; methanol = 0.496 mg/L at 20 °C
• Solubility in water, mg/l at 20 °C: 10.2 (practically insoluble)

GHS Hazard Classification

Reported hazard statements	H302, H317, H373, H400, H410, H360 (68%), H411 (24.8%), H371

Documented Uses

• Used as a fungicide for powdery mildew; [ACGIH]
• Triflumizole is a fungicide used for the control of powdery mildew, such as Sphaerotheca fuliginea, Sphaerotheca pannosa, Erysiphe cichoracearum and others.
• Triflumizole is produced by reaction of 2-trifluoromethyl-4-chloropropoxyacetanilide with imidazole in the presence of phosphorous pentachloride.
• Following oral treatment of rats with /a single oral dose of 10 mg/kg/ [phenyl- U-(14)C]-NF-114, no sex-related differences were observed in absorption, metabolism, distribution or excretion. Maximum concentrations of radioactivity in plasma were attained within 1 hour of dosing in both sexes. Low levels of radioactivity were detectable in all tissue, organ, and blood samples. Radioactivity in urine accounted for 69.5-74.4% of the dose and feces accounted for 21.7-21.9% of the dose. /From table/
• The metabolism of triflumizole was investigated by analyzing fecal and urine samples retained from ... previous studies: single oral administration of 10 or 300 mg/kg bw and 14 consecutive oral doses of 10 mg/kg bw per day. ... Triflumizole is extensively metabolized: less than 2% of the radiolabel recovered from urine or feces was identified as parent compound. A few differences in metabolite pattern were observed between males and females after repeated low and single high doses, but not after a single low dose.

Synonyms

Triflumizole; 68694-11-1; Triflumizol; Terraguard; Trifmine; Procure; Trifumine; Condor; trifumin; NF-114; DTXSID2032500; 7J6Y4H9MV5; SSP-11; (E)-4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine; 1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole; PROCURE (FUNGICIDE)

Frequently Asked Questions

What are the CAS number and molecular formula of triflumizole?

CAS 99387-89-0; molecular formula C15H15ClF3N3O; molecular weight — g/mol.

What other names is triflumizole known by?

Triflumizole, 68694-11-1, Triflumizol, Terraguard, Trifmine, Procure.

Is triflumizole classified as hazardous?

Hazard statements reported: H302, H317, H373, H400, H410.

What are the key physical properties of triflumizole?

Melting Point: 63.5 °C; Melting Point: 63 °C; Density: 1.4 g/cm³; Vapor Pressure: 0.0000014 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.