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67085-13-6

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Basic Information
CAS No.: 67085-13-6
Name: Butoconazole
Article Data: 6
Molecular Structure:
Molecular Structure of 67085-13-6 (Butoconazole)
Formula: C19H17Cl3N2S
Molecular Weight: 411.782
Synonyms: 1H-Imidazole,1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, (?à)-;Butaconazole;Butoconazole;1-{4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole;(±)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole;
Density: 1.32 g/cm3
Boiling Point: 566.9 °C at 760 mmHg
Flash Point: 296.7 °C
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Chemistry

IUPAC Name: 1-[4-(4-Chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole 
Following is the structure of 1H-Imidazole,1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]- (CAS NO.67085-13-6):
                  
Empirical Formula: C19H17Cl3N2S
Molecular Weight: 411.7757 
Index of Refraction: 1.633
Molar Refractivity: 111.08 cm3
Molar Volume: 310.8 cm3 
Density: 1.32 g/cm3
Flash Point: 296.7 °C
Surface Tension: 46.9 dyne/cm
Enthalpy of Vaporization: 81.95 kJ/mol
Boiling Point: 566.9 °C at 760 mmHg
Vapour Pressure: 2.76E-12 mmHg at 25 °C
Canonical SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl
InChI: InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
InChIKey: SWLMUYACZKCSHZ-UHFFFAOYSA-N

Specification

 1H-Imidazole,1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]- , its cas register number 67085-13-6. It also can be called (+-)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole ; (±)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole ; 1-{4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole ; and 1H-imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]- .