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Diniconazole (Standard)

CAT: 0804-HY-B1948R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1948R-01Size:10 mg
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Description
Diniconazole (Standard) is the analytical standard of Diniconazole. This product is intended for research and analytical applications. Diniconazole (S-3308) is a newly developed fungicide. Diniconazole exhibits fungicidal activity against Bolrytis cintrca, Sordaria fumicola, Fusarium graminearum, Sclerotium cepivornm, and Bipolaris sorokiniana with IC50 values of 0.012,[2].
CAS Number
83657-24-3
Product Name Alternative
Rac-Diniconazole (Standard) ; S 3308 (Standard)
UNSPSC
12352005
Hazard Statement
H302, H410
Target
Fungal; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/diniconazole-standard.html
Purity
98.95
Smiles
OC(C(C)(C)C)/C(N1N=CN=C1)=C\C2=CC=C(Cl)C=C2Cl
Molecular Formula
C15H17Cl2N3O
Molecular Weight
326.22
Precautions
H302, H410
References & Citations
[1]Yoshida Y, et al. Stereo-selective interaction of enantiomers of diniconazole, a fungicide, with purified P-450/14DM from yeast. Biochem Biophys Res Commun. 1986 May 29;137 (1) :513-519.
Shipping Conditions
Room Temperature
Storage Conditions
4°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Diniconazole

(1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is a member of the class of triazoles that is 4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol substituted at position 1 by a 2,4-dichlorophenyl group. It is a dichlorobenzene, a secondary alcohol, a member of triazoles and an olefinic compound.

CAS Number83657-24-3
PubChem CID6436605
IUPAC Name(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.2
XLogP4.2
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity384
SMILES
CC(C)(C)C(/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O
InChI
InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
InChIKey
FBOUIAKEJMZPQG-AWNIVKPZSA-N
Chemical Structure
2D Structure
2D structure of Diniconazole
CAS: 83657-24-3
CID: 6436605
Formula: C15H17Cl2N3O
MW: 326.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.2
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass325.0748676
Monoisotopic Mass325.0748676
Topological Polar Surface Area50.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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