Oxiconazole supplier | CasNO.64211-45-6

Name
Oxiconazole
EINECS 1533716-785-6
CAS No. 64211-45-6
Article Data3
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₃Cl₄N₃O
Boiling Point 576.8 °C at 760 mmHg
Molecular Weight 429.133
Flash Point 302.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-[(2,4-dichlorophenyl)methyl]oxime,(Z)-;Oxiconazole;
PSA 39.41000
LogP 6.11780

Oxiconazole Specification

The Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-,O-[(2,4-dichlorophenyl)methyl]oxime, (1Z)-, with CAS registry number 64211-45-6, belongs to the following product category: Active Pharmaceutical Ingredients. It has the systematic name of (1Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorobenzyl)oxime. And the chemical formula of this chemical is C₁₈H₁₃Cl₄N₃O.

Physical properties of Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-,O-[(2,4-dichlorophenyl)methyl]oxime, (1Z)-: (1)ACD/LogP: 5.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.08; (4)ACD/LogD (pH 7.4): 5.8; (5)ACD/BCF (pH 5.5): 2807.2; (6)ACD/BCF (pH 7.4): 14982.99; (7)ACD/KOC (pH 5.5): 6252.09; (8)ACD/KOC (pH 7.4): 33369.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.41 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 107.71 cm³; (15)Molar Volume: 300.7 cm³; (16)Polarizability: 42.69×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Enthalpy of Vaporization: 83.16 kJ/mol; (19)Vapour Pressure: 1.06E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(\C(=N\OCc1ccc(Cl)cc1Cl)Cn2ccnc2)c(Cl)c3
(2)InChI: InChI=1/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
(3)InChIKey: QRJJEGAJXVEBNE-HKOYGPOVBR
(4)Std. InChI: InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
(5)Std. InChIKey: QRJJEGAJXVEBNE-HKOYGPOVSA-N

Product Name

Oxiconazole

Oxiconazole Specification

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