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5,8-Quinolinedione

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5,8-Quinolinedione

EINECS N/A
CAS No. 10470-83-4 Density 1.374 g/cm3
PSA 47.03000 LogP 1.01680
Solubility N/A Melting Point 129℃ (DEC.)
Formula C9H5NO2 Boiling Point 333.6 °C at 760 mmHg
Molecular Weight 159.144 Flash Point 159.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10470-83-4 (5,8-QUINOLINEQUINONE) Hazard Symbols N/A
Synonyms

DA 276;NSC 682996;5,8-Quinolinequinone;5,8-Dihydro-5,8-dioxoquinoline;

Article Data 33

5,8-Quinolinedione Specification

The 5,8-Quinolinedione, with the CAS registry number 10470-83-4, is also known as 5,8-Dihydroquinoline-5,8-dione . This chemical's molecular formula is C9H5NO2 and molecular weight is 159.14. What's more, its systematic name is quinoline-5,8-dione.

Physical properties of 2,3-Diphenylindole are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.22; (8)ACD/KOC (pH 7.4): 42.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.03 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 40.99 cm3; (15)Molar Volume: 115.7 cm3; (16)Polarizability: 16.25×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.374 g/cm3; (19)Flash Point: 159.9 °C; (20)Enthalpy of Vaporization: 57.65 kJ/mol; (21)Boiling Point: 333.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000135 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=O)C=CC2=O)N=C1
(2)InChI: InChI=1S/C9H5NO2/c11-7-3-4-8(12)9-6(7)2-1-5-10-9/h1-5H
(3)InChIKey: NVJSPQCVDHGYRE-UHFFFAOYSA-N

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