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9,10-Dihydrobenzo[a]pyrene-7(8H)-one

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Name

9,10-Dihydrobenzo[a]pyrene-7(8H)-one

EINECS 222-055-1
CAS No. 3331-46-2 Density 1.316 g/cm3
PSA 17.07000 LogP 5.10300
Solubility N/A Melting Point 172-175 °C(lit.)
Formula C20H14O Boiling Point 492 °C at 760 mmHg
Molecular Weight 270.331 Flash Point 220.6 °C
Transport Information N/A Appearance beige crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 3331-46-2 (9,10-DIHYDROBENZO[A]PYREN-7(8H)-ONE) Hazard Symbols N/A
Synonyms

7-Oxo-7,8,9,10-tetrahydrobenzo[a]pyrene;9,10-Dihydrobenzo[a]pyren-7(8H)-one;NSC 30830;

Article Data 17

9,10-Dihydrobenzo[a]pyrene-7(8H)-one Specification

The 9,10-Dihydrobenzo[a]pyrene-7(8H)-one with its cas register number is 3331-46-2. It also can be called as and the IUPAC name about this chemical is 9,10-dihydro-8H-benzo[a]pyren-7-one. It belongs to the following product categories, such as C15 to C38Organic Conductors and Photovoltaics: OFET and OPV Materials, Carbonyl Compounds, Dyes, Ketones, Organic Photovoltaic (OPV) Materials and so on. When you are using it, please not breathe dust and avoid contact with skin and eyes.

Physical properties about 9,10-Dihydrobenzo[a]pyrene-7(8H)-one are: (1)#H bond acceptors: 1; (2)Polar Surface Area: 17.07Å2; (3)Index of Refraction: 1.82; (4)Molar Refractivity: 89.38 cm3; (5)Molar Volume: 205.3 cm3; (6)Polarizability: 35.43x10-24cm3; (7)Surface Tension: 65.5 dyne/cm; (8)Enthalpy of Vaporization: 75.89 kJ/mol; (9)Vapour Pressure: 7.95E-10 mmHg at 25°C

Preparation: this chemical can be prepared by 4-pyren-1-yl-butyric acid. This reaction will need reagent HF (g). The yield is about 84%.

Uses of 9,10-Dihydrobenzo[a]pyrene-7(8H)-one: it can be used to produce 7,8-epoxy-7,8,9,10-tetrahydro-benzo[def]chrysene at Ambient temperature. It will need reagent sodium bicarbonate, m-chloroperbenzoic acid and solvent CH2Cl2 with reaction time of 3 hours. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)C(=O)C1
(2)InChI: InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2 
(3)InChIKey: AIGDHFJPKNZUOR-UHFFFAOYSA-N 

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