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CAS No.: | 18434-12-3 |
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Name: | 1,2-DIPHENYLINDOLE |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C20H15N |
Molecular Weight: | 269.346 |
Synonyms: | Indole,1,2-diphenyl- (8CI);1,2-Diphenyl-1H-indole;1,2-Diphenylindole;N,2-Diphenylindole; |
EINECS: | 242-311-6 |
Density: | 1.07 g/cm3 |
Melting Point: | 80-83°C (lit.) |
Boiling Point: | 451.2 °C at 760 mmHg |
Flash Point: | 226.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 4.93000 |
LogP: | 5.29750 |
This chemical is called 1H-Indole, 1,2-diphenyl-, and its IUPAC name is 1,2-diphenylindole. With the molecular formula of C20H15N, its molecular weight is 269.34. The CAS registry number of this chemical is 18434-12-3. In addition, this chemical should be sealed in the cool and dry place, away from oxidants.
Other characteristics of the 1H-Indole, 1,2-diphenyl- can be summarised as followings: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.51; (4)ACD/LogD (pH 7.4): 6.51; (5)ACD/BCF (pH 5.5): 52490; (6)ACD/BCF (pH 7.4): 52490; (7)ACD/KOC (pH 5.5): 83217.13; (8)ACD/KOC (pH 7.4): 83217.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 88.47 cm3; (15)Molar Volume: 251.2 cm3; (16)Polarizability: 35.07×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 226.6 °C; (20)Enthalpy of Vaporization: 71.01 kJ/mol; (21)Boiling Point: 451.2 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-08 mmHg at 25°C.
Production method of this chemical: The 1H-Indole, 1,2-diphenyl- could be obtained by the reactants of 2-phenyl-indole and bromobenzene. This reaction needs the reagents of 1,3-(2,6-diisopropylphenyl)2-4,5-dihydroimidazolium chloride, Pd(OAc)2, NaOH, and the solvent of toluene. The yield is 100 %. In addition, this reaction should be taken for 18 hours at the temperature of 100 °C.
Uses of this chemical: The 3-nitroso-1,2-diphenyl-indole could be obtained by the 1H-Indole, 1,2-diphenyl-. This reaction needs the reagent of acetic acid, water and sodium nitrite.
You can still convert the following datas into molecular structure:
1.SMILES: c1cccc3c1cc(c2ccccc2)n3c4ccccc4
2.InChI: InChI=1/C20H15N/c1-3-9-16(10-4-1)20-15-17-11-7-8-14-19(17)21(20)18-12-5-2-6-13-18/h1-15H
3.InChIKey: BRIKLJCDBBFRAE-UHFFFAOYAI