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| CAS No.: | 191-24-2 |
|---|---|
| Name: | 1,12-BENZOPERYLENE |
| Molecular Structure: | |
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| Formula: | C22H12 |
| Molecular Weight: | 276.337 |
| Synonyms: | 1,12-Benzoperylene;1,12-Benzperylene;NSC 89275; |
| EINECS: | 205-883-8 |
| Density: | 1.379 g/cm3 |
| Melting Point: | 277-279 °C(lit.) |
| Boiling Point: | 500.998 °C at 760 mmHg |
| Flash Point: | 247.24 °C |
| Solubility: | Insoluble in water |
| Appearance: | Colorless to white crystalline solid |
| Hazard Symbols: |
 Xn, N, F
|
| Risk Codes: | 50/53-40-67-65-38-11 |
| Safety: | 60-61-36/37-24/25-23-62 |
| PSA: | 0.00000 |
| LogP: | 6.32820 |
Benzo[ghi]perylene
| Conditions | Yield |
|---|---|
| With sulfuric acid; 3-peryleneacetaldehyde diethyl acetal In methanol for 0.5h; sonificated; | 95% |
| With sulfuric acid In methanol | |
| With sulfuric acid In methanol |
Benzo[ghi]perylene
| Conditions | Yield |
|---|---|
| With TpRuPPh3(CH3CN)PF6 In 1,2-dichloro-ethane at 80℃; for 24h; | 75% |
10-methoxydibenzo[c,g]phenanthrene
A
Benzo[ghi]perylene
B
dibenzo[c,g]phenanthren-10-ol
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at -10 - 20℃; for 3h; Temperature; Time; Inert atmosphere; | A 70% B 29% |
| Conditions | Yield |
|---|---|
| With tetrahydrofuran; iodine In toluene Irradiation; | 43% |
| Conditions | Yield |
|---|---|
| With iodine In tetrahydrofuran; toluene for 29h; Irradiation; | 43% |
C23H18O2
Benzo[ghi]perylene
| Conditions | Yield |
|---|---|
| With polyphosphoric acid at 110℃; for 24h; | 37% |
| Conditions | Yield |
|---|---|
| With iodine; methyloxirane In benzene Irradiation; | A 33% B 6 % Spectr. |
| With iodine; methyloxirane In benzene Irradiation; | A 33 % Spectr. B 6% |
| Conditions | Yield |
|---|---|
| With iodine In toluene for 36h; Irradiation; | 16% |
tetrahydro<5>helicene
Benzo[ghi]perylene
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; 4-methylisopropylbenzene |
| Conditions | Yield |
|---|---|
| With soda lime at 400℃; under 12 Torr; | |
| With copper In quinoline for 5h; Microwave irradiation; Inert atmosphere; |
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IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 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)1987,p. 56. , Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , 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)1983,p. 195. . EPA Genetic Toxicology Program.
For occupational chemical analysis use NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.
Benzo[ghi]perylene is an organic compound with the formula C22H12, and its systematic name is the same with the product name. With the CAS registry number 191-24-2, it is also named as 1,12-Benzoperylene. It belongs to the product categories of A-B Alphabetic; Alpha Sort; B; BA - BH Environmental Standards; PAHs; Volatiles/ Semivolatiles; A-B Analytical Standards; Aromatics Alphabetic; BA - BH Chemical Class; Chemical Class; Hydrocarbons; Neats Analytical Standards; PAHs Environmental Standards. Its EINECS number is 205-883-8. In addition, the molecular weight is 276.33. Its classification codes are: (1)Mutation data; (2)Tumor data. It should be sealed and stored.
Physical properties of Benzo[ghi]perylene are: (1)ACD/LogP: 6.646; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.65; (4)ACD/LogD (pH 7.4): 6.65; (5)ACD/BCF (pH 5.5): 66261.88 ; (6)ACD/BCF (pH 7.4): 66261.88; (7)ACD/KOC (pH 5.5): 98319.91; (8)ACD/KOC (pH 7.4): 98319.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 2.009; (13)Molar Refractivity: 100.833 cm3; (14)Molar Volume: 200.407 cm3; (15)Polarizability: 39.973×10-24cm3; (16)Surface Tension: 74.24 dyne/cm; (17)Density: 1.379 g/cm3; (18)Flash Point: 247.24 °C; (19)Enthalpy of Vaporization: 74.055 kJ/mol; (20)Boiling Point: 500.998 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
Preparation of Benzo[ghi]perylene: this chemical can be prepared by 1-(2,2-diethoxy-ethyl)-perylene. This reaction will need reagents 3-peryleneacetaldehyde diethyl acetal, conc. H2SO4 and solvent methanol with the reaction time of 30 min. The yield is about 95%.
![Benzo[ghi]perylene can be prepared by 1-(2,2-diethoxy-ethyl)-perylene](/UserFilesUpload/Preparation of Benzo[ghi]perylene.jpeg)
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and is irritating to skin. It has a limited evidence of a carcinogenic effect. This substance is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. Its vapours may cause drowsiness and dizziness. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes and you need to wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet. If swallowed, it will not induce vomiting, but you need to seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccc3ccc4ccc5cccc6c5c4c3c2c6c1
(2)Std. InChI: InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
(3)Std. InChIKey: GYFAGKUZYNFMBN-UHFFFAOYSA-N
