ChemicalBook--->CAS DataBase List--->115852-48-7

115852-48-7

115852-48-7 Structure

115852-48-7 Structure
IdentificationMore
[Name]

Fenoxanil
[CAS]

115852-48-7
[Synonyms]

FENOXANIL
N-(1-CYANO-1,2-DIMETHYLPROPYL)-2-(2,4-DICHLOROPHENOXY)PROPIONAMIDE
BENZOPURPURINE 4 B (C.I. 23500)
zarilamid
ac382042
fenoxanil (bsi,iso)
[Molecular Formula]

C15H18Cl2N2O2
[MDL Number]

MFCD06798290
[Molecular Weight]

329.22
[MOL File]

115852-48-7.mol
Chemical PropertiesBack Directory
[Melting point ]

69.0-71.5°
[Boiling point ]

504.9±50.0 °C(Predicted)
[density ]

d20 1.22 g/cm3
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly), Methanol (Very Slightly, Sonicated)
[form ]

neat
[pka]

11.44±0.46(Predicted)
[color ]

White to Off-White
[Henry's Law Constant]

5.0×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)
[InChIKey]

IUOKJNROJISWRO-UHFFFAOYSA-N
[SMILES]

C(NC(C#N)(C)C(C)C)(=O)C(OC1=CC=C(Cl)C=C1Cl)C
[CAS DataBase Reference]

115852-48-7(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

2
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 orally in mice, male rats, female rats (mg/kg): >5000, >5000, 4211 (Sieverding)
Hazard InformationBack Directory
[Uses]

Agricultural fungicide.
[Definition]

ChEBI: N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-(2,4-dichlorophenoxy)propanoic acid with the amino group of 2-amino-2,3-dimethylbutanenitrile. It is a monocarboxylic acid amide, a dichlorobenzene, a nitrile and an aromatic ether.
[Production Methods]

The industrial production of fenoxanil involves the preparation of 2-(2,4-dichlorophenoxy)propionic acid, which is activated for amide formation. This intermediate is then reacted with 1-cyano-1,2-dimethylpropylamine under controlled conditions to form the final compound. The synthesis is optimized for regioselectivity and purity.
[Mechanism of action]

Systemic, protectant with some residual effects, works by inhibiting melanin biosynthesis
[Pesticide Type]

Fungicide
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

115852-48-7(sigmaaldrich)
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