Benzo[a]pyrene-1,6-dione,radical ion(1-) (9CI) supplier

Name
Benzo(A)pyrene-1,6-dione, radical ion(1-)
EINECS
CAS No. 64133-79-5
Density 1.426 g/cm³
Solubility
Melting Point
Formula C₂₀H₁₀O₂
Boiling Point 545.7 °C at 760 mmHg
Molecular Weight 282.2922
Flash Point 200.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzo[a]pyrene-1,6-quinone;
PSA
LogP

Benzo[a]pyrene-1,6-dione,radical ion(1-) (9CI) Specification

The Benzo[a]pyrene-1,6-dione,radical ion(1-) (9CI), with the CAS registry number 64133-79-5, is also known as Benzo[a]pyrene-1,6-quinone. This chemical's molecular formula is C₂₀H₁₀O₂ and molecular weight is 282.2922. What's more, its systematic name is called Benzo[pqr]tetraphene-1,6-dione.

Physical properties about Benzo[a]pyrene-1,6-dione,radical ion(1-) (9CI) are: (1)ACD/LogP: 4.81; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2651.32; (6)ACD/BCF (pH 7.4): 2651.32; (7)ACD/KOC (pH 5.5): 9819.95; (8)ACD/KOC (pH 7.4): 9819.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 83.67 cm³; (15)Molar Volume: 197.8 cm³; (16)Polarizability: 33.17×10^-24 cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.426 g/cm³; (19)Flash Point: 200.2 °C; (20)Enthalpy of Vaporization: 82.46 kJ/mol; (21)Boiling Point: 545.7 °C at 760 mmHg; (22)Vapour Pressure: 5.79E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1c5c4c2ccc3\C=C/C(=O)c(c34)cc5
(2) InChI: InChI=1/C20H10O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22/h1-10H
(3) InChIKey: OXWHZARNAGLRFL-UHFFFAOYAG

Product Name

Benzo(A)pyrene-1,6-dione, radical ion(1-)

Benzo[a]pyrene-1,6-dione,radical ion(1-) (9CI) Specification

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