Basic information
- Name:
1H-Indene-1,3(2H)-dione,2-(2-quinolinyl)-
- CAS No.:
83-08-9
- Molecular Structure:
- Formula:
- C18H11NO2
- Molecular Weight:
- 273.28544
- Synonyms:
- Quinophthalone(6CI,7CI,8CI);11641 Yellow;2-(2-Quinolyl)-1,3-indandione;2-(2-Quinolyl)-1,3-indanedione;Erio Chinoline Yellow 4G;NSC 18950;NSC 3047;NSC 7503;Quinoline Yellow 2SF;
- EINECS:
- 201-453-9
- Density:
- 1.345 g/cm3
- Boiling Point:
- 514.5 °C at 760 mmHg
- Flash Point:
- 260 °C
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Specification
The Quinophthalone, with the CAS registry number 83-08-9, is also known as 11641 Yellow. Its EINECS registry number is 201-453-9. This chemical's molecular formula is C18H11NO2 and molecular weight is 273.28544. Its systematic name is called 2-(quinolin-2-yl)-1H-indene-1,3(2H)-dione.
Physical properties of Quinophthalone: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.02; (8)ACD/KOC (pH 7.4): 4.02; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.706; (12)Molar Refractivity: 79.06 cm3; (13)Molar Volume: 203 cm3; (14)Surface Tension: 64.3 dyne/cm; (15)Density: 1.345 g/cm3; (16)Flash Point: 260 °C; (17)Enthalpy of Vaporization: 78.62 kJ/mol; (18)Boiling Point: 514.5 °C at 760 mmHg; (19)Vapour Pressure: 1.07E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c1ccccc1C(=O)C4c2nc3ccccc3cc2
(2)InChI: InChI=1/C18H11NO2/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15/h1-10,16H
(3)InChIKey: IZMJMCDDWKSTTK-UHFFFAOYAL