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Cas Database |
| Name |
1,4-Naphthalenedione,5,8-bis(acetyloxy)- |
EINECS | N/A |
| CAS No. | 14569-45-0 | Density | 1.386 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H10O6 | Boiling Point | 482.5 °C at 760 mmHg |
| Molecular Weight | 274.23 | Flash Point | 218 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,4-Naphthoquinone,5,8-dihydroxy-, diacetate (7CI,8CI);5,8-Bis(acetyloxy)-1,4-naphthalenedione;5,8-Diacetoxy-1,4-naphthoquinone;5,8-Diacetoxynaphthoquinone;NSC 117920;Naphthazarin diacetate; |
Article Data | 9 |
1,4-Naphthalenedione,5,8-bis(acetyloxy)- Specification
The 1,4-Naphthalenedione,5,8-bis(acetyloxy)-, with the CAS registry number 14569-45-0, is also known as Naphthazarin diacetate. This chemical's molecular formula is C14H10O6 and molecular weight is 274.23. What's more, its systematic name is 5,8-dioxo-5,8-dihydronaphthalene-1,4-diyl diacetate.
Physical properties of 1,4-Naphthalenedione,5,8-bis(acetyloxy)- are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 86.74 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 65.58 cm3; (9)Molar Volume: 197.8 cm3; (10)Polarizability: 26×10-24cm3; (11)Surface Tension: 54.8 dyne/cm; (12)Density: 1.386 g/cm3; (13)Flash Point: 218 °C; (14)Enthalpy of Vaporization: 74.74 kJ/mol; (15)Boiling Point: 482.5 °C at 760 mmHg; (16)Vapour Pressure: 1.82E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(OC(=O)C)c2C(=O)\C=C/C(=O)c12C
(2)InChI: InChI=1S/C14H10O6/c1-7(15)19-11-5-6-12(20-8(2)16)14-10(18)4-3-9(17)13(11)14/h3-6H,1-2H3
(3)InChIKey: DEYKOBAZKKDRES-UHFFFAOYSA-N
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