Coronene supplier | CasNO.191-07-1

Name
Coronene
EINECS 205-881-7
CAS No. 191-07-1
Article Data33
CAS DataBase
Density 1.467 g/cm³
Solubility 0.1ug/L(25 oC)
Melting Point 428 °C
Formula C₂₄H₁₂
Boiling Point 525.6 °C at 760 mmHg
Molecular Weight 300.359
Flash Point 265.238 °C
Transport Information
Appearance yellow to gold fibrous powder
Safety 36/37-62
Risk Codes 20/21/22-67-65-63-48/20-38-11
Molecular Structure
Hazard Symbols Xn,F
Synonyms Circumbenzene;NSC 90725;
PSA 0.00000
LogP 6.91920

Synthetic route

: 681164-24-9
9,10-dihydro-9,10-di(penta-1,4-diyn-3-ylidene)anthracene

: 191-07-1
Coronene

Conditions

Conditions	Yield
With TpRuPPh3(CH3CN)PF6 In 1,2-dichloro-ethane at 80℃; for 36h;	86%
With ammonium hexafluorophosphate; [dichloro(p-cymene)(triphenylphosphane)ruthenium(II)] In 1,2-dichloro-ethane at 75℃; for 17h;	8 mg

: 7-benzoperyleneacetaldehyde diethyl acetal

: 191-07-1
Coronene

Conditions

Conditions	Yield
With sulfuric acid In methanol for 0.5h; sonificated;	82%

: C32H36O4

: 191-07-1
Coronene

Conditions

Conditions	Yield
With methanesulfonic acid In dichloromethane at -7 - 20℃; for 1.5h; Reagent/catalyst;	80%

: 1,5,9-triethynyltriphenylene

: 191-07-1
Coronene

Conditions

Conditions	Yield
With platinum(II) chloride In toluene for 12h; Schlenk technique; Inert atmosphere; Reflux;	57%

: 187737-37-7
propene

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 191-07-1
Coronene

Conditions

Conditions	Yield
With KFI molecular sieve catalyst at 475℃; under 750.075 Torr; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;	A 6% B 11%

: 71-36-3
butan-1-ol

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 8-methyl-8-hydro-phenyl[bc]coronene

C: 7,8-dimethyl-8-hydro-phenyl[bc]coronene

D: 191-07-1
Coronene

Conditions

Conditions	Yield
With DNL-6 molecular sieve microsphere catalyst In water at 475℃; under 750.075 Torr; for 1h; Inert atmosphere;	A 4% B 6% C 6% D 10%

...Expand

: 187737-37-7
propene

A: 8-methyl-8-hydro-phenyl[bc]coronene

B: 191-07-1
Coronene

Conditions

Conditions	Yield
With UZM-9 molecular sieve catalyst at 475℃; under 750.075 Torr; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;	A 6% B 10%

: 67-56-1
methanol

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 8-methyl-8-hydro-phenyl[bc]coronene

C: 191-07-1
Coronene

Conditions

Conditions	Yield
With DNL-6 molecular sieve microsphere catalyst at 500℃; under 750.075 Torr; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;	A 8% B 6% C 6%

...Expand

: 71-23-8
propan-1-ol

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 8-methyl-8-hydro-phenyl[bc]coronene

C: 7,8-dimethyl-8-hydro-phenyl[bc]coronene

D: 191-07-1
Coronene

Conditions

Conditions	Yield
With DNL-6 molecular sieve microsphere catalyst In water at 475℃; under 750.075 Torr; for 1h; Inert atmosphere;	A 4% B 6% C 6% D 8%

...Expand

: 71-41-0
pentan-1-ol

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 8-methyl-8-hydro-phenyl[bc]coronene

C: 7,8-dimethyl-8-hydro-phenyl[bc]coronene

D: 191-07-1
Coronene

Conditions

Conditions	Yield
With DNL-6 molecular sieve microsphere catalyst In water at 475℃; under 750.075 Torr; for 1h; Inert atmosphere;	A 2% B 6% C 4% D 8%

...Expand

: 187737-37-7
propene

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 8-methyl-8-hydro-phenyl[bc]coronene

C: 191-07-1
Coronene

Conditions

Conditions	Yield
With RHO molecular sieve catalyst at 525℃; under 750.075 Torr; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;	A 8% B 8% C 6%

...Expand

: 67-56-1
methanol

A: 107716-56-3
8-hydro-phenyl[bc]coronene

B: 8-methyl-8-hydro-phenyl[bc]coronene

C: 7,8-dimethyl-8-hydro-phenyl[bc]coronene

D: 191-07-1
Coronene

Conditions

Conditions	Yield
With DNL-6 molecular sieve microsphere catalyst In water at 475℃; under 750.075 Torr; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;	A 3% B 6% C 4% D 7%

...Expand

: 74-85-1
ethene

: 191-07-1
Coronene

Conditions

Conditions	Yield
With RHO molecular sieve catalyst at 475℃; under 750.075 Torr; for 1h; Inert atmosphere;	6%

: 283-80-7
[2.2.2]paracyclophane

: 191-07-1
Coronene

Conditions

Conditions	Yield
With trimethyleneglycol at 380℃;

: 190-55-6
dibenzo[bc,kl]coronene

: 191-07-1
Coronene

Conditions

Conditions	Yield
With nitric acid at 220℃; Erhitzen des Reaktionsprodukts mit Natronkalk unter 20 mmHg Wasserstoff-Druck auf 500grad;

: 88889-40-1
1,2-coronene-dione

A: naphth[2',1',8',7';4,10,5]anthra[1,9,8-cdef]chromen-2-one

B: 191-07-1
Coronene

Conditions

Conditions	Yield
With lead(II) oxide under 12 Torr; im Luftstrom;

: 4444-80-8
3,4-Coronen-dicarbonsaeure-anhydrid

: 191-07-1
Coronene

Conditions

Conditions	Yield
With soda lime at 400℃;

: 4444-80-8
3,4-Coronen-dicarbonsaeure-anhydrid

A: 56663-32-2
bicoronenyl

B: 191-07-1
Coronene

Conditions

Conditions	Yield
With potassium hydroxide; nickel at 350℃;

: coronene radical cation

: 191-07-1
Coronene

Conditions

Conditions	Yield
With [76]fullerene In dichloromethane Rate constant; Ambient temperature; also with C78;

polyethylene: polyethylene

A: 191-26-4
anthranthrene

B: 2471-84-3
1-methylene-1H-indene

C: 95-13-6
1-indene

D: 191-07-1
Coronene

Conditions

Conditions	Yield
With air at 800 - 900℃; Oxidation; Formation of xenobiotics;

...Expand

waste tire: waste tire

: 191-07-1
Coronene

Conditions

Conditions	Yield
With air at 950℃; Oxidation; Formation of xenobiotics;

pulp and paper-generated biowaste: pulp and paper-generated biowaste

A: 206-44-0
fluoranthene

B: 191-24-2
Benzo[ghi]perylene

C: 483-65-8
Retene

D: 191-07-1
Coronene

Conditions

Conditions	Yield
With air at 976.85℃; Oxidation; Formation of xenobiotics;

...Expand

: 7499-48-1
9,12-dimethyl-dibenzo[c,g]phenanthrene-3,4-dicarboxylic acid-anhydride

: 7732-18-5
water

potassium hydroxide: potassium hydroxide

: 191-07-1
Coronene

Conditions

Conditions	Yield
at 320℃; eisernes Gefaess;

...Expand

9.12-dimethyl-dibenzo<c.g>phenanthrene-carboxylic acid-(3): 9.12-dimethyl-dibenzo<c.g>phenanthrene-carboxylic acid-(3)

: 191-07-1
Coronene

Conditions

Conditions	Yield
With potassium hydroxide; water at 320℃;

9.12-dimethyl-dibenzo<c.g>phenanthrene-dicarboxylic acid-(3.4)-anhydride: 9.12-dimethyl-dibenzo<c.g>phenanthrene-dicarboxylic acid-(3.4)-anhydride

: 191-07-1
Coronene

Conditions

Conditions	Yield
With potassium hydroxide; water at 320℃;

: 283-80-7
[2.2.2]paracyclophane

PdO: PdO

: 191-07-1
Coronene

Conditions

Conditions	Yield
at 380℃;

: 7446-70-0
aluminium trichloride

: 7130-24-7, 61849-91-0, 61849-92-1
1,4-di-(2,7)naphtha-cyclohexane

CS2: CS2

: 191-07-1
Coronene

Conditions

Conditions	Yield
Erhitzen des Reaktionsprodukts mit Palladium auf 260grad;

...Expand

: 54171-94-7
tetracosahydro-coronene

selenium: selenium

: 191-07-1
Coronene

Conditions

Conditions	Yield
at 360℃; Dehydrierung;

: 9,12-dimethyl-dibenzo[c,g]phenanthrene-3-carboxylic acid

: 7732-18-5
water

sodium hydroxide: sodium hydroxide

: 191-07-1
Coronene

Conditions

Conditions	Yield
at 320℃;

...Expand

: 17084-13-8
potassium hexafluorophosphate

: 165336-82-3
cis-[Pt(II)(PEt)3(trifluoromethane-sulfonate)2]

: 6Pt(2+)*12P(C2H5)3*4C3N3(C5H4N)3*12CF3SO3(1-)*2CH3COCH3=Pt6(P(C2H5)3)12(C3N3(C5H4N)3)4(CF3SO3)12*2CH3COCH3

: 17013-01-3
fumaric acid disodium salt

: 191-07-1
Coronene

: 6Pt(2+)*12P(C2H5)3*2C3N3(C5H4N)3*2C2H2(COO)2(2-)*C24H12*8PF6(1-)=Pt6(P(C2H5)3)12(C3N3(C5H4N)3)2(C4H2O4)2(PF6)8*C24H12

Conditions

Conditions	Yield
In [(2)H6]acetone; water; acetone to acetone soln. of triazine complex were added aq. soln. of carboxylate,coronene and aq. suspn. of platinum complex, sealed, immersed at 70°C for 1 h, solvent was removed, dried in vac., acetone-d6 was added, heated at 70°C for 1 h, aq. KPF6; elem. anal.;	96%

...Expand

: C108H100Ir4N16(8+)*8CF3O3S(1-)

: 191-07-1
Coronene

: C108H100Ir4N16(8+)*8CF3O3S(1-)*2C24H12

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	95.5%

: C108H100N16Rh4(8+)*8CF3O3S(1-)

: 191-07-1
Coronene

: C108H100N16Rh4(8+)*8CF3O3S(1-)*2C24H12

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	94.5%

: C128H152Cl4Cu4N4O24Rh4(4+)*4CF3O3S(1-)

: 191-07-1
Coronene

: C128H152Cl4Cu4N4O24Rh4(4+)*4CF3O3S(1-)*C24H12

Conditions

Conditions	Yield
In methanol at 20℃; for 6h; Inert atmosphere; Schlenk technique;	93.8%

: 191-07-1
Coronene

: 94227-23-3
1,2,3,4,5,6,7,8,9,10,11,12-dodecakischlorocoronene

Conditions

Conditions	Yield
With aluminum (III) chloride; Iodine monochloride In tetrachloromethane at 81℃; for 48h; Inert atmosphere; Schlenk technique;	93%
With disulfur dichloride; aluminium trichloride; sulfuryl dichloride for 28h; Heating;	90%

: 553-26-4
4,4'-bipyridine

: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer

: [Ag2(1,3-di(3-pyridyl)propane-1,3-dionato)2][OTf]2

: 2923-28-6
silver trifluoromethanesulfonate

: 191-07-1
Coronene

: C112H112Ag4N12O8Rh4(8+)*8CF3O3S(1-)*2C24H12

Conditions

Conditions	Yield
Stage #1: dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver trifluoromethanesulfonate In methanol at 20℃; for 6h; Darkness; Stage #2: 4,4'-bipyridine; [Ag2(1,3-di(3-pyridyl)propane-1,3-dionato)2][OTf]2; Coronene at 20℃; for 24h;	89.6%

...Expand

: [Cp*Rh]2(4,4’-bis(dipyrromethane-5-yl)biphenyl)Cl2

: [Cu2(bddp)2]

: 2923-28-6
silver trifluoromethanesulfonate

: 20958-66-1
N,N′-dimethyl-1,4,5,8-naphthalenetetracarboxylic diimide

: 191-07-1
Coronene

: 2C30H20N4(2-)*4C10H15(1-)*4C19H23NO4(2-)*4Cu(2+)*4Rh(3+)*4CF3O3S(1-)*2C24H12*2C16H10N2O4

Conditions

Conditions	Yield
Stage #1: [Cp*Rh]2(4,4’-bis(dipyrromethane-5-yl)biphenyl)Cl2; silver trifluoromethanesulfonate In methanol at 20℃; for 6h; Darkness; Stage #2: [Cu2(bddp)2] for 12h; Stage #3: N,N′-dimethyl-1,4,5,8-naphthalenetetracarboxylic diimide; Coronene at 20℃; for 6h;	81.5%

...Expand

: 42333-78-8
2,4,6-tri(4-pyridyl)-1,3,5-triazine

: dichloro(μ-[6,11-di(hydroxy-κO)naphthacene-5,12-dionato(2-)-κO5:κO12])bis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]diruthenium

: 2923-28-6
silver trifluoromethanesulfonate

: 191-07-1
Coronene

: coronene.cntnd.[Ru2(p-cymene)2Cl2(6,11-dioxo-6,11-dihydronaphthacene-5,12-diolato)]3(2,4,6-tris(4-pyridyl)-1,3,5-triazine)(SO3CF3

Conditions

Conditions	Yield
In methanol to mixt. of Ru complex and Ag triflate in MeOH added triazine deriv. andcoronene; mixt. stirred at reflux for 24 h; filtered, solvent removed, residue dissolved in CH2Cl2, Et2O added for pptn.. solid filtered, dried under vac.; elem. anal.;	81%

...Expand

: 157131-39-0
1,3,5-tris{2-(pyridin-4-yl)-vinyl}benzene

: (η6-p-cymRu)2(μ4-5,8-dihydroxy-1,4-naphthoquinone)Cl2

: 2923-28-6
silver trifluoromethanesulfonate

: 191-07-1
Coronene

: [coronene*Ru6(p-cymene)6(1,3,5-tris{2-(pyridin-4-yl)-vinyl}benzene)2(μ-5,8-dioxido-1,4-naphthoquinonato)3][trifluoromethanesulfonate]6

Conditions

Conditions	Yield
In methanol for 24h; Reflux;	81%

...Expand

: 4885-02-3
Dichloromethyl methyl ether

: 191-07-1
Coronene

: 22138-86-9
1-coronenecarboxaldehyde

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane; 1,2-dichloro-ethane at 20℃; for 19h;	76%

: 42333-78-8
2,4,6-tri(4-pyridyl)-1,3,5-triazine

: silever triflate

: C30H41Cl2N2O2Ru2

: 191-07-1
Coronene

: C24H12*C126H147N18O6Ru6(6+)*6CF3O3S(1-)

Conditions

Conditions	Yield
Stage #1: silever triflate; C30H41Cl2N2O2Ru2 With air In dichloromethane at 20℃; for 2h; Stage #2: 2,4,6-tri(4-pyridyl)-1,3,5-triazine; Coronene In dichloromethane at 20℃; for 48h;	75%

...Expand

: 21003-99-6
2,5-dimethoxy-7,7,8,8-tetracyano-p-quinodimethane

: 191-07-1
Coronene

: (coronene)[(MeO)2TCNQ]

Conditions

Conditions	Yield
In dichloromethane	72%

: 42333-78-8
2,4,6-tri(4-pyridyl)-1,3,5-triazine

: 1039768-31-4
[Ru2(η6-p-cymene)2(C6H2O4)Cl2]

: 2923-28-6
silver trifluoromethanesulfonate

: 191-07-1
Coronene

: coronene*[Ru6(p-cymene)6(2,4,6-tris(4-pyridyl)-1,3,5-triazine)2(2,5-dioxy-1,4-benzoquinonato)3](O3SCF3)6

Conditions

Conditions	Yield
In methanol byproducts: AgCl; a mixt. of complex and Ag-salt in methanol was stirred at room temp. for2 h, filtered, triazine-compound and aromatic molecule were added, the mixt. was stirred at room temp. for 24 h; the solvent was removed under vac., the residue was taken up in CH2Cl2, filtered, concd., diethyl ether was added; elem. anal.;	70%

...Expand

: 157131-39-0
1,3,5-tris{2-(pyridin-4-yl)-vinyl}benzene

: 201941-87-9
[Ru2(p-cymene)2(μ-9,10-dioxido-1,4-anthraquinonato)Cl2]

: 2923-28-6
silver trifluoromethanesulfonate

: 191-07-1
Coronene

: [coronene*Ru6(p-cymene)6(1,3,5-tris{2-(pyridin-4-yl)-vinyl}benzene)2(μ-9,10-dioxido-1,4-anthraquinonato)3][trifluoromethanesulfonate]6

Conditions

Conditions	Yield
In methanol for 24h; Reflux;	66%

...Expand

: 29261-33-4
2,3,5,6-tetrafluoro-7,7',8,8'-tetracyanoquinodimethane

: 191-07-1
Coronene

: (coronene)(F4TCNQ)

Conditions

Conditions	Yield
In dichloromethane	66%

: 17455-13-9
18-crown-6 ether

: rubidium

: 191-07-1
Coronene

: [Rb(18-crown-6)][coronene]

Conditions

Conditions	Yield
In tetrahydrofuran for 8h; Inert atmosphere; Schlenk technique;	65%

...Expand

: 1518-16-7
7,7',8,8'-tetracyanoquinodimethane

: 191-07-1
Coronene

: (coronene)3*TCNQ

Conditions

Conditions	Yield
In benzene for 12h;	61%

: 110-71-4
1,2-dimethoxyethane

: 191-07-1
Coronene

: coronene

Conditions

Conditions	Yield
Stage #1: 1,2-dimethoxyethane; Coronene With sodium at 20℃; for 8h; Inert atmosphere; Stage #2: With Coarannulen In 1,2-dimethoxyethane; hexane at 10℃; for 48h; Inert atmosphere;	60%

: 6C66H52N4Ni*4Fe(2+)*8C2F6NO4S2(1-)

: 191-07-1
Coronene

: 6C66H52N4Ni*4Fe(2+)*8C2F6NO4S2(1-)*2C24H12

Conditions

Conditions	Yield
In [D3]acetonitrile at 20℃; for 1h;	60%

Coronene Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , 1983,p. 263.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Coronene Specification

The Coronene, with the CAS registry number 191-07-1, is also known as Dibenzo[ghi,pqr]perylene. It belongs to the product categories of Active Pharmaceutical Ingredients; Electroluminescence; Functional Materials; Alphabetic; C; CO - CZ; Arenes; Building Blocks; Organic Building Blocks; Charge Transport and Photosensitizing Materials Organic Conductors and Photovoltaics: OFET and OPV Materials; Arenes Organic Electronics and Photonics; OLED and PLED Materials; Organic Semiconductors; p-Type Oligomers. Its EINECS registry number is 205-881-7. This chemical's molecular formula is C₂₄H₁₂ and molecular weight is 300.35. What's more, its IUPAC name is the same with its product name. Coronene is a polycyclic aromatic hydrocarbon (PAH) comprising six peri-fused benzene rings. It is a yellow material that dissolves in such solvents as benzene, toluene, and dichloromethane. Its solutions emit blue light fluorescence under UV light. Its emission spectrum is not symmetrical with its excitation spectrum and varies in the number of bands and their relative intensities depending on the solvent. Coronene has been used as a solvent probe, similar to pyrene.

Physical properties about Coronene are: (1)ACD/LogP: 7.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.105; (4)ACD/LogD (pH 7.4): 7.105; (5)ACD/BCF (pH 5.5): 147832.453; (6)ACD/BCF (pH 7.4): 147832.453; (7)ACD/KOC (pH 5.5): 174621.75; (8)ACD/KOC (pH 7.4): 174621.75; (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: 2.14; (14)Molar Refractivity: 111.36 cm³; (15)Molar Volume: 204.72 cm³; (16)Surface Tension: 85.771 dyne/cm; (17)Density: 1.467 g/cm³; (18)Flash Point: 265.238 °C; (19)Enthalpy of Vaporization: 76.966 kJ/mol; (20)Boiling Point: 525.6 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Coronene: this chemical can be prepared by 7-(2,2-Diethoxy-ethyl)-benzo[ghi]perylene. This reaction needs reagent H₂SO₄ and solvent methanol. The reaction time is 0.5h. The yield is 82 %.

Coronene can be prepared by 7-(2,2-Diethoxy-ethyl)-benzo[ghi]perylene.

Uses of Coronene: it is used to produce other chemicals. For example, it can react with 2,4-Dimethoxy-benzoyl chloride to get Coronen-1-yl-(2,4-dimethoxy-phenyl)-methanone. The reaction occurs with reagents AlCl₃ and chlorobenzene. The yield is 48 %.

Coronene can react with 2,4-Dimethoxy-benzoyl chloride to get Coronen-1-yl-(2,4-dimethoxy-phenyl)-methanone.

When you are dealing with this chemical, you should be very careful. This chemicals may cause damage to health and it may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It is harmful by inhalation, in contact with skin and if swallowed. This chemical may cause lung damage if swallowed and vapours may cause drowsiness and dizziness. Therefor, you should wear suitable protective clothing and gloves. If swallowed, you should seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67
(2) InChI: InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
(3) InChIKey: VPUGDVKSAQVFFS-UHFFFAOYSA-N

Product Name

Coronene

Synthetic route

Coronene Consensus Reports

Coronene Specification

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