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| CAS No.: | 22246-16-8 |
|---|---|
| Name: | 3,4-Dihydro-6-nitro-2(1H)-quinolinone |
| Molecular Structure: | |
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| Formula: | C9H8N2O3 |
| Molecular Weight: | 192.174 |
| Synonyms: | Carbostyril,3,4-dihydro-6-nitro- (8CI);6-Nitro-1,2,3,4-tetrahydrochinolin-2-one;6-Nitro-1,3,4-trihydroquinolin-2-one;6-Nitro-3,4-dihydro-1H-quinolin-2-one;6-Nitro-3,4-dihydro-quinolin-2(1H)-one; |
| Density: | 1.366 g/cm3 |
| Melting Point: | 201-202 °C |
| Boiling Point: | 420.3 °C at 760 mmHg |
| Flash Point: | 208 °C |
| Hazard Symbols: | T |
| PSA: | 74.92000 |
| LogP: | 2.14070 |
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Specification
This chemical is called 2(1H)-Quinolinone,3,4-dihydro-6-nitro-, and its systematic name is 6-nitro-3,4-dihydroquinolin-2(1H)-one. With the molecular formula of C9H8N2O3, its molecular weight is 192.1714. The CAS registry number of this chemical is 22246-16-8. Additionally, its product categories are Aromatics Compounds; Aromatics; Heterocycles. It should be stored below -20 °C.
Other characteristics of the 2(1H)-Quinolinone,3,4-dihydro-6-nitro- can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.88; (6)ACD/BCF (pH 7.4): 16.88; (7)ACD/KOC (pH 5.5): 263.1; (8)ACD/KOC (pH 7.4): 263.1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 48.45 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 19.2×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 208 °C; (20)Enthalpy of Vaporization: 67.41 kJ/mol; (21)Boiling Point: 420.3 °C at 760 mmHg; (22)Vapour Pressure: 2.85E-07 mmHg at 25°C.
Uses of this chemical: The 2-chloro-6-nitro-quinoline could be obtained by the 2(1H)-Quinolinone,3,4-dihydro-6-nitro-. This reaction needs the reagents of DDQ, POCl3, and the solvent of benzene. The yield is 96 %. In addition, this reaction should be taken for 3 hours at the temperature of 90 °C.
-Quinolinone,3,4-dihydro-6-nitro-.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc2c(c1)CCC(=O)N2
2.InChI: InChI=1/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12)
3.InChIKey: NQMSVHWAVMTBHK-UHFFFAOYAG