Fenoxanil supplier | CasNO.115852-48-7

Name
Fenoxanil
EINECS
CAS No. 115852-48-7
Article Data2
CAS DataBase
Density 1.222 g/cm³
Solubility
Melting Point 69.0-71.5°
Formula C₁₅H₁₈Cl₂N₂O₂
Boiling Point 504.929 °C at 760 mmHg
Molecular Weight 329.226
Flash Point 259.172 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms NNF 9425;WL 378309;CL 382042;
PSA 62.12000
LogP 4.20608

Fenoxanil Specification

The Fenoxanil with the CAS number 115852-48-7 is also called Propanamide,N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-. It has the IUPAC name N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide. Moreover, its molecular formula is C₁₅H₁₈Cl₂N₂O₂. This chemcial should be sealed at 0-6°C.

The properties of the Fenoxanil are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 501.09; (6)ACD/BCF (pH 7.4): 501.05; (7)ACD/KOC (pH 5.5): 2979.92; (8)ACD/KOC (pH 7.4): 2979.65; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 83.2 cm³; (15)Molar Volume: 269.5 cm³; (16)Polarizability: 32.98×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Enthalpy of Vaporization: 77.45 kJ/mol; (19)Vapour Pressure: 2.54×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1OC(C(=O)NC(C#N)(C)C(C)C)C
(2)InChI: InChI=1/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)
(3)InChIKey: IUOKJNROJISWRO-UHFFFAOYAO

Product Name

Fenoxanil

Fenoxanil Specification

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