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| CAS No.: | 191-07-1 |
|---|---|
| Name: | Coronene |
| Molecular Structure: | |
|
|
|
| Formula: | C24H12 |
| Molecular Weight: | 300.359 |
| Synonyms: | Circumbenzene;NSC 90725; |
| EINECS: | 205-881-7 |
| Density: | 1.467 g/cm3 |
| Melting Point: | 428 °C |
| Boiling Point: | 525.6 °C at 760 mmHg |
| Flash Point: | 265.238 °C |
| Solubility: | 0.1ug/L(25 oC) |
| Appearance: | yellow to gold fibrous powder |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 20/21/22-67-65-63-48/20-38-11 |
| Safety: | 36/37-62 |
| PSA: | 0.00000 |
| LogP: | 6.91920 |
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Coronene
| 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 |
- 191-07-1
Coronene
| Conditions | Yield |
|---|---|
| With sulfuric acid In methanol for 0.5h; sonificated; | 82% |
- 191-07-1
Coronene
| Conditions | Yield |
|---|---|
| With methanesulfonic acid In dichloromethane at -7 - 20℃; for 1.5h; Reagent/catalyst; | 80% |
- 191-07-1
Coronene
| Conditions | Yield |
|---|---|
| With platinum(II) chloride In toluene for 12h; Schlenk technique; Inert atmosphere; Reflux; | 57% |
| Conditions | Yield |
|---|---|
| With KFI molecular sieve catalyst at 475℃; under 750.075 Torr; for 1h; Reagent/catalyst; Temperature; Inert atmosphere; | A 6% B 11% |
| 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% |
| 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% |
| 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% |
| 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% |
| 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% |
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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) .
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.](/UserFilesUpload/Preparation of Coronene.jpg)
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 %.
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