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68797-31-9

Basic Information
CAS No.: 68797-31-9
Name: Econazole nitrate
Molecular Structure:
Molecular Structure of 68797-31-9 (Econazole nitrate)
Formula: C18H15Cl3N2O.HNO3
Molecular Weight: 444.70
Synonyms: Ecostatin;(+-)-Econazole;1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-;1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate;Ifenec;(1)-1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazolium nitrate;1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid;4-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-4H-imidazole;24169-02-6;Econazolum;Epi-pevaryl;Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate (8CI);Imidazole, 1-[2, 4-dichloro-.beta.-[ (p-chlorobenzyl)oxy]phenethyl]-, mononitrate;(+-)-Econazole nitrate;Econazole nitrate [USAN:BAN:JAN];1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate;Gyno-Pevaryl 150;1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (9CI);Pevaryl;Palavale;1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole;1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazolium nitrate;1H-Imidazole, 1-[2-[ (4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, mononitrate;Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-;Econazole [USAN:BAN:INN];1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate;1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; dihydroxy-oxo-azanium;Gyno-pevaryl;Econazole nitrate (unspecified);Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate;27220-47-9;Spectazole;1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl]ethyl)-, nitrate;
EINECS: 272-295-6
Density: 1.6311 (rough estimate)
Boiling Point: 533.8 ºC at 760 mmHg
Flash Point: 276.6 ºC
Solubility: 711.5mg/L(25 oC)
Appearance: White or almost white crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/38
Safety: 26-36
PSA: 93.10000
LogP: 5.97690
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Chemistry


IUPAC Name: 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
Canonical SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChI: InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-N
Molecular Weight: 444.69634 [g/mol]
Molecular Formula: C18H16Cl3N3O4
H-Bond Donor: 1
H-Bond Acceptor: 5 
EINECS: 272-295-6 
Flash Point: 276.6 °C
Enthalpy of Vaporization: 77.94 kJ/mol
Boiling Point: 533.8 °C at 760 mmHg
Vapour Pressure of 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate (CAS NO.68797-31-9): 6.21E-11 mmHg at 25 °C

Safety Profile

 Hazard Codes: HarmfulXn
Risk Statements: 22-36/38 
R22:Harmful if swallowed. 
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS of 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate (CAS NO.68797-31-9): NI4450000

Specification

  1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate (CAS NO.68797-31-9), its Synonyms are 1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazolnit ; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-imidazolmononitrate ; Ecostatin ; Epi-pevaryl ; Gyno-pevaryl ; Ifenec ; Palavale .