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Bixafen

CAT: 0013-GTR19240229-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240229-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bixafen is a fungicidal succinate dehydrogenase inhibitor used in agricultural research. Its hepatotoxic and pancreotoxic effects make it a relevant tool for studying fungicide toxicity and mitochondrial dysfunction in both in vitro and in vivo experimental models.
CAS Number
581809-46-3
Field of Research
Infectious Disease & Virology
Purity
98.44% (May vary between batches)
Smiles
O=C (NC1=CC=C (F) C=C1C=2C=CC (Cl) =C (Cl) C2) C3=CN (N=C3C (F) F) C
Molecular Formula
C18H12Cl2F3N3O
Molecular Weight
414.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bixafen

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 a member of biphenyls, a dichlorobenzene, a member of pyrazoles, an organofluorine compound, an aromatic amide and an anilide fungicide.

CAS Number581809-46-3
PubChem CID11434448
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
Molecular FormulaC18H12Cl2F3N3O
Molecular Weight414.2
XLogP4.7
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity530
SMILES
CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)
InChIKey
LDLMOOXUCMHBMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bixafen
CAS: 581809-46-3
CID: 11434448
Formula: C18H12Cl2F3N3O
MW: 414.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.2
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass413.0309519
Monoisotopic Mass413.0309519
Topological Polar Surface Area46.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-EE-00031Bixafen
HY-133726RBixafen (Standard)
CS-K-00318Bixafen-desmethyl
FRC49806N-Desmethyl bixafen

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