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136426-54-5

136426-54-5 structural image
Product Name: FLUQUINCONAZOLE
Formula: C16H8Cl2FN5O
Synonyms: 3-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-trizol-1-yl)quinazolin-4(3H)-one;Castellan
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CHEMICAL AND PHYSICAL PROPERTIES

Ionization Efficiency Positive
Collision Cross Section 180.99 Ų [M+H]+
Kovats Retention Index 2729

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H312:Acute toxicity,dermal
H315:Skin corrosion/irritation
H372:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 376.2 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 375.0089934 g/mol
Monoisotopic Mass 375.0089934 g/mol
Topological Polar Surface Area 63.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 565
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fluquinconazole is a member of the class of quinazolines that is 6-fluoroquinazolin-4-one carrying additional 1,2,4-triazol-1-yl and 2,4-dichlorophenyl substituents at positions 2 and 3 respectively. A fungicide used to control Ascomycetes, Deuteromycetes and Basidiomycetes spp. on cereals, beets and fruit. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of quinazolines, a dichlorobenzene, a member of triazoles, an organofluorine compound, a conazole fungicide and a triazole fungicide.