1-{2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate supplier

Name
Miconazole Nitrate
EINECS 245-256-6
CAS No. 228321-87-7
Density
Solubility
Melting Point
Formula C₁₈H₁₄Cl₄N₂O.HNO₃
Boiling Point 555.1 °C at 760 mmHg
Molecular Weight 0
Flash Point 289.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Miconazol Nitrate;MiconazChemicalbookoleNitrate;MiconazoleNitraChemicalbookte;Miconazole nitrate impurities and raw powder
PSA
LogP

1-{2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate Specification

The 1-{2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate, with the CAS registry number of 228321-87-7, is also known as 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, nitrate (1:1). This chemical's molecular formula is C₁₈H₁₄Cl₄N₂O.HNO₃. What's more, its systematic name is 1-{2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate (1:1).

Physical properties about the 1-{2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.76; (4)ACD/LogD (pH 7.4): 5.86; (5)ACD/BCF (pH 5.5): 1289.42; (6)ACD/BCF (pH 7.4): 16071.52; (7)ACD/KOC (pH 5.5): 2729.93; (8)ACD/KOC (pH 7.4): 34026.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.05 Å²; (13)Flash Point: 289.5 °C; (14)Enthalpy of Vaporization: 80.52 kJ/mol; (15)Boiling Point: 555.1 °C at 760 mmHg; (16)Vapour Pressure: 8.55E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)O.Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2Cl)Cn3ccnc3
(2) InChI: InChI=1/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
(3) InChIKey: MCCACAIVAXEFAL-UHFFFAOYAX

Product Name

Miconazole Nitrate

1-{2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate Specification

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