CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 190.28 Ų [M+Na]+ 191.13 Ų [M-H]- 183.92 Ų [M+H]+ 197.67 Ų [M+Cl]- |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Environment GHS09 |
GHS Hazard Statements |
H400:Hazardous to the aquatic environment, acute hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
Molecular Weight | 414.2 g/mol |
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XLogP3 | 4.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Exact Mass | 413.0309519 g/mol |
Monoisotopic Mass | 413.0309519 g/mol |
Topological Polar Surface Area | 46.9 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 530 |
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
Bixafen is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4'-dichloro-5-fluorobiphenyl-2-amine. A fungicide for use in cereals for key stem and leaf disease control including strobilurin-resistant septoria. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an aromatic amide, an organofluorine compound, a member of pyrazoles, a member of biphenyls, a dichlorobenzene and an anilide fungicide.