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Bixafen

Bixafen structure

CAS No:
581809-46-3
Formula:
C18H12Cl2F3N3O
Chemical Name:
Bixafen
Synonyms:
1H-Pyrazole-4-carboxamide,N-(3′,4′-dichloro-5-fluoro[1,1′-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-;N-(3′,4′-Dichloro-5-fluoro[1,1′-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide;Bixafen;N-[2-(3,4-Dichlorophenyl)-4-fluorophenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxylic acid amide;N-(3′,4′-Dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide;1135441-87-0;1195088-55-1;1023697-71-3
Categories:
Analytical Chemistry > Standard

Description

ChEBI: 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 co trol including strobilurin-resistant septoria.

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.

Bixafen Basic Attributes

Molecular Weight：

414.2085896

Exact Mass：

414.21

UNII：

28XK2L8M3B

DSSTox ID：

DTXSID6058134

Characteristics

PSA：

46.9

XLogP3：

4.7

Density：

1.47±0.1 g/cm3(Predicted)

Collision Cross Section：

191.13 Å² [M-H]-

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 211 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Bixafen Use and Manufacturing

Use Classification：

Agrochemicals -> Fungicides|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Bixafen has known environmental transformation products that include CSCD465008.

Computed Properties

Molecular Weight:414.2
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:413.0309519
Monoisotopic Mass:413.0309519
Topological Polar Surface Area:46.9
Heavy Atom Count:27
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes