CAS No.191-24-2,1,12-BENZOPERYLENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	191-24-2
Name:	1,12-BENZOPERYLENE
Article Data:	59

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

Synthetic route

: 1-peryleneacetaldehyde diethyl acetal

: 191-24-2
Benzo[ghi]perylene

Conditions

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

: 7-(penta-1,4-diyn-3-ylidene)-7H-benzo[de]anthracene

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With TpRuPPh3(CH3CN)PF6 In 1,2-dichloro-ethane at 80℃; for 24h;	75%

: 1428551-97-6, 1428583-61-2, 1428583-62-3
10-methoxydibenzo[c,g]phenanthrene

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

B: 115123-31-4, 1428583-65-6, 1428583-66-7
dibenzo[c,g]phenanthren-10-ol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -10 - 20℃; for 3h; Temperature; Time; Inert atmosphere;	A 70% B 29%

: 2042-99-1
1,2-di-[2]naphthyl-ethene

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With tetrahydrofuran; iodine In toluene Irradiation;	43%

: 2753-11-9
trans-1,2-di-[2]naphthyl-ethene

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With iodine In tetrahydrofuran; toluene for 29h; Irradiation;	43%

: 1329490-10-9
C23H18O2

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With polyphosphoric acid at 110℃; for 24h;	37%

: 1608-30-6
1,4-distyrylbenzene

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

B: 188-52-3
dibenzo[c,g]phenanthrene

Conditions

Conditions	Yield
With iodine; methyloxirane In benzene Irradiation;	A 33% B 6 % Spectr.
With iodine; methyloxirane In benzene Irradiation;	A 33 % Spectr. B 6%

: 1608-40-8
(cis,cis)-1,4-distyrylbenzene

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With iodine In toluene for 36h; Irradiation;	16%

: 82817-99-0
tetrahydro<5>helicene

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With palladium on activated charcoal; 4-methylisopropylbenzene

: 6245-10-9
Benzoperylen-1,2-dicarbonsaeure-anhydrid

: 191-24-2
Benzo[ghi]perylene

Conditions

Conditions	Yield
With soda lime at 400℃; under 12 Torr;
With copper In quinoline for 5h; Microwave irradiation; Inert atmosphere;

Raw Materials

13922-41-3

2042-99-1

84194-26-3

198-55-0

188-52-3

6323-67-7

20451-53-0

625-48-9

Downstream Products

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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 , 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.

Analytical Methods

For occupational chemical analysis use NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Specification

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

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