2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole supplier

Name
2,4-BIS-(2-CHLOROPHENYL)-5-(3,4-DIMETHOXYPHENYL)-IMIDAZOLE (CDI)
EINECS 275-356-5
CAS No. 71360-31-1
Density 1.293 g/cm³
Solubility
Melting Point
Formula C₂₃H₁₈Cl₂N₂O₂
Boiling Point 578.4 °C at 760 mmHg
Molecular Weight 425.30722
Flash Point 303.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole,2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)- (9CI);2,4-(2-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole;2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole;
PSA 0.00000
LogP 0.00000

2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole Specification

The IUPAC name of 2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole is 2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole. With the CAS registry number 71360-31-1, it is also named as 1H-Imidazole,2,5-bis(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-. In addition, its molecular formula is C₂₃H₁₈Cl₂N₂O₂ and its molecular weight is 425.30722.

The other characteristics of 2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole can be summarized as: (1)EINECS: 275-356-5; (2)ACD/LogP: 5.07; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.07; (5)ACD/LogD (pH 7.4): 5.07; (6)ACD/BCF (pH 5.5): 4172.44; (7)ACD/BCF (pH 7.4): 4229.38; (8)ACD/KOC (pH 5.5): 13530.97; (9)ACD/KOC (pH 7.4): 13715.63; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 5; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 115.7 cm³; (15)Molar Volume: 328.7 cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.293 g/cm³; (18)Flash Point: 303.6 °C; (19)Enthalpy of Vaporization: 83.36 kJ/mol; (20)Boiling Point: 578.4 °C at 760 mmHg; (21)Vapour Pressure: 8.96E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc4ccccc4c2c(nc(c1c(Cl)cccc1)n2)c3ccc(OC)c(OC)c3
(2)InChI:InChI=1/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)
(3)InChIKey:JEIHVVWXQSLCQF-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)
(5)Std. InChIKey:JEIHVVWXQSLCQF-UHFFFAOYSA-N

Product Name

2,4-BIS-(2-CHLOROPHENYL)-5-(3,4-DIMETHOXYPHENYL)-IMIDAZOLE (CDI)

2,4-Bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole Specification

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