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CAS No.: | 115852-48-7 |
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Name: | Fenoxanil |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H18Cl2N2O2 |
Molecular Weight: | 329.226 |
Synonyms: | NNF 9425;WL 378309;CL 382042; |
Density: | 1.222 g/cm3 |
Melting Point: | 69.0-71.5° |
Boiling Point: | 504.929 °C at 760 mmHg |
Flash Point: | 259.172 °C |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 62.12000 |
LogP: | 4.20608 |
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