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CAS No.: | 193-43-1 |
---|---|
Name: | INDENO(1,2,3-C,D)FLUORANTHENE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C22H12 |
Molecular Weight: | 276.337 |
Synonyms: | 3,4-peri-Phenylenefluoranthene;4,5-(1,2-Phenylene)fluoranthene;4,5-(p-Phenylene)fluoranthene;Indeno[1,2,3-cd]fluoranthene;p-Phenylenefluoranthene; |
Density: | 1.36 g/cm3 |
Melting Point: | 261-262 °C |
Boiling Point: | 872.2 °C at 760 mmHg |
Flash Point: | 405.1 °C |
PSA: | 0.00000 |
LogP: | 6.13460 |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; (bis(tricyclohexyl)phosphine)palladium(II) dichloride In various solvent(s) at 155℃; for 72h; | 100% |
1,4-dibromonaphthalene
(2-bromophenyl)boronic acid
A
fluoranthene
B
indeno[123-cd]fluoranthene
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium (0); 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine In N,N-dimethyl-formamide at 155℃; for 48h; Suzuki coupling, Heck coupling; | A 35% B 51% |
1,4-bis(2-fluorophenyl)naphthalene
indeno[123-cd]fluoranthene
Conditions | Yield |
---|---|
With aluminum oxide at 200℃; for 60h; Inert atmosphere; | 34% |
dibenzo[b,def]chrysene-7,14-dione
A
indeno[123-cd]fluoranthene
B
13H-naphto<3,2,1-cd>fluoranthene-13-one
Conditions | Yield |
---|---|
at 1200℃; | A 17% B 4.5% |
at 1200℃; Product distribution; further temp., vacuum flow app.; | A 17% B 4.5% |
benzopentaphene-5,8-dione
A
indeno[123-cd]fluoranthene
B
13H-naphto<3,2,1-cd>fluoranthene-13-one
Conditions | Yield |
---|---|
at 1200℃; | A 6% B 2% |
2-fluoranthen-3-yl-aniline
indeno[123-cd]fluoranthene
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid; sodium nitrite anschliessendes Erwaermen mit Kupfer-Pulver; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: copper-powder / 210 - 220 °C 2: Raney nickel; ethanol / Hydrogenation 3: NaNO2; aqueous H2SO4; acetic acid / anschliessendes Erwaermen mit Kupfer-Pulver View Scheme |
3-iodo-fluoranthene
indeno[123-cd]fluoranthene
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: copper-powder / 210 - 220 °C 2: Raney nickel; ethanol / Hydrogenation 3: NaNO2; aqueous H2SO4; acetic acid / anschliessendes Erwaermen mit Kupfer-Pulver View Scheme |
3-(2-nitro-phenyl)-fluoranthene
indeno[123-cd]fluoranthene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Raney nickel; ethanol / Hydrogenation 2: NaNO2; aqueous H2SO4; acetic acid / anschliessendes Erwaermen mit Kupfer-Pulver View Scheme |
indeno[123-cd]fluoranthene
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In N,N-dimethyl acetamide; toluene at 75℃; Sealed tube; Inert atmosphere; | 33.9 mg |
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The 1,2:5,6-Dibenzopyracylene, with the CAS registry number 193-43-1, is also known as 1,2:5,6-Dibenzopyracylene. It belongs to the product categories of Analytical Standards; Alphabetic; I. This chemical's molecular formula is C22H12 and molecular weight is 276.3307. What's more, its systematic name is Indeno[1,2,3-cd]fluoranthene.
Physical properties about 1,2:5,6-Dibenzopyracylene: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 476.45; (6)ACD/BCF (pH 7.4): 476.45; (7)ACD/KOC (pH 5.5): 2874.29; (8)ACD/KOC (pH 7.4): 2874.29; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 88.39 cm3; (15)Molar Volume: 202.4 cm3; (16)Polarizability: 35.04×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 405.1 °C; (20)Enthalpy of Vaporization: 122.45 kJ/mol; (21)Boiling Point: 872.2 °C at 760 mmHg; (22)Vapour Pressure: 9.99E-30 mmHg at 25 °C.
Preparation of 1,2:5,6-Dibenzopyracylene: this chemical is prepared by reaction of Bromobenzeneboronic acid with 1,4-Dibromo-naphthalene. The reaction occurs with reagent DBU, Pd2(dba)3 and P(Cy)3 and solvent Dimethylformamide at temperature of 155 °C for 48 hours. The yield is 51 %.
You can still convert the following datas into molecular structure:
(1) SMILES: C=4\C\1=C6\C(=C\2C/1=C3/C(/C=C/2)=C\5/C=C\C=C/C/5=C3C=4)\C=C/C=C6
(2) InChI: InChI=1/C22H12/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18(14)21(17)22(19)20/h1-12H
(3) InChIKey: XAKRHFYJDSMEMI-UHFFFAOYAV