CAS No.18434-12-3,1,2-DIPHENYLINDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18434-12-3
Name:	1,2-DIPHENYLINDOLE
Article Data:	43

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

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Specification

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