Product Name

  • Name

    1.12,2.3,4.5,6.7,8.9,10.11-HEXABENZOCORONENE

  • EINECS
  • CAS No. 190-24-9
  • Article Data11
  • CAS DataBase
  • Density 1.633 g/cm3
  • Solubility
  • Melting Point >600 °C
  • Formula C42H18
  • Boiling Point
  • Molecular Weight 522.605
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 190-24-9 (1.12,2.3,4.5,6.7,8.9,10.11-HEXABENZOCORONENE)
  • Hazard Symbols
  • Synonyms 1,12;4,5;8,9;10,11-Hexabenzocoronene;Hexa-peri-benzocoronene;Hexabenzocoronene;NSC 91579;Superbenzene;1:12,2:3,4:5,6:7, 8:9,10:11-Hexabenzocoronene;
  • PSA 0.00000
  • LogP 12.15180

Synthetic route

1,2,3,4-tetraphenyltriphenylene
36262-81-4

1,2,3,4-tetraphenyltriphenylene

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
With iron(III) chloride In nitromethane; dichloromethane for 2h; Inert atmosphere;99.8%
hexaphenylbenzene
992-04-1

hexaphenylbenzene

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
With iron(III) chloride In nitromethane; dichloromethane at 20℃; for 4h; Inert atmosphere;95%
With tetrabutylammonium tetrafluoroborate; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; Electrolysis; Inert atmosphere; Schlenk technique;95%
With iron(III) chloride In nitromethane; dichloromethane for 0.5h; Inert atmosphere;93%
1,3,5-tris(2'-biphenyl)ylbenzene
16322-10-4

1,3,5-tris(2'-biphenyl)ylbenzene

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
With iron(III) chloride In nitromethane; dichloromethane for 1h;80%
hexabenzo[a,cd,f,j,lm,o]perylene
190-22-7

hexabenzo[a,cd,f,j,lm,o]perylene

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
at 500℃; under 0.1 Torr;
With aluminium trichloride; sodium chloride at 120 - 130℃;
at 500℃; under 0.1 Torr;
8H-benzo[fg]naphthacene
196-03-2

8H-benzo[fg]naphthacene

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
With sulfur at 320℃;
benzo[fg]naphthacen-8-one
86854-05-9

benzo[fg]naphthacen-8-one

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
With zinc(II) chloride; zinc at 330 - 350℃;
C42H36

C42H36

A

hexabenzocoronene
190-24-9

hexabenzocoronene

B

dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene
188-00-1

dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene

Conditions
ConditionsYield
With copper at 400℃; for 1.5h;
9,18-Bis-(4-tert-butyl-phenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecahydro-phenanthro[9,10-b]triphenylene-9,18-diol

9,18-Bis-(4-tert-butyl-phenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-octadecahydro-phenanthro[9,10-b]triphenylene-9,18-diol

A

hexabenzocoronene
190-24-9

hexabenzocoronene

B

dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene
188-00-1

dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene

Conditions
ConditionsYield
With aluminium trichloride; copper; sodium chloride 1.) 120 deg C, 3 min; 2.) 400 deg C, 90 min; Yield given. Multistep reaction. Yields of byproduct given;
aluminium trichloride
7446-70-0

aluminium trichloride

hexabenzo[a,cd,f,j,lm,o]perylene
190-22-7

hexabenzo[a,cd,f,j,lm,o]perylene

NaCl

NaCl

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
at 120 - 130℃;
hexaphenylbenzene
992-04-1

hexaphenylbenzene

A

C84H30

C84H30

B

hexabenzocoronene
190-24-9

hexabenzocoronene

Conditions
ConditionsYield
With molybdenum(V) chloride In dichloromethane at 20℃; for 24h; Scholl reaction;
hexabenzocoronene
190-24-9

hexabenzocoronene

C42Cl18

C42Cl18

Conditions
ConditionsYield
With aluminum (III) chloride; Iodine monochloride In tetrachloromethane at 80℃; for 72h;90%
hexabenzocoronene
190-24-9

hexabenzocoronene

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
25015-63-8

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

C78H84B6O12

C78H84B6O12

Conditions
ConditionsYield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 3,4,7,8-Tetramethyl-o-phenanthrolin at 80℃; for 48h; Inert atmosphere; Schlenk technique;27%
hexabenzocoronene
190-24-9

hexabenzocoronene

C42H36

C42H36

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In tetrahydrofuran at 65℃; under 37503 - 45003.6 Torr; for 168000h;10%
hexabenzocoronene
190-24-9

hexabenzocoronene

pyrographite
7440-44-0

pyrographite

Conditions
ConditionsYield
In solid heating the precursor in a sealed quartz ampules under vac. (1E-5 mbar) together with quartz plates at 400°C for 72 h, then at 800 or 650°C for 24 h; detected by mass-spectrometry;

Hexabenzo[bc,ef,hi,kl,no,qr]coronene Specification

The Hexabenzo[bc,ef,hi,kl,no,qr]coronene, with the CAS registry number 190-24-9, is also known as 1:12,2:3,4:5,6:7, 8:9,10:11-Hexabenzocoronene. This chemical's molecular formula is C42H18 and molecular weight is 522.59.What's more, its systematic name is Hexabenzo[bc,ef,hi,kl,no,qr]coronene.

Physical properties about Hexabenzo[bc,ef,hi,kl,no,qr]coronene are: (1)ACD/LogP: 12.55; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.55; (4)ACD/LogD (pH 7.4): 12.55; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 2.402; (13)Molar Refractivity: 196.46 cm3; (14)Molar Volume: 320 cm3; (15)Polarizability: 77.88×10-24 cm3; (16)Surface Tension: 111 dyne/cm; (17)Density: 1.633 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c%11%13c1cccc4c1c3c%12c9c2c8c(c7c6c2c3c5c4cccc5c6ccc7)cccc8c%10c9c(ccc%10)c(c%11%12)ccc%13
(2)InChI: InChI=1/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
(3)InChIKey: IVJZBYVRLJZOOQ-UHFFFAOYAU

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View