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| CAS No.: | 35975-00-9 |
|---|---|
| Name: | 5-Amino-6-nitroquinoline |
| Molecular Structure: | |
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|
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| Formula: | C9H7N3O2 |
| Molecular Weight: | 189.173 |
| Synonyms: | 5-Amino-6-nitroquinoline; |
| EINECS: | 252-822-6 |
| Density: | 1.445g/cm3 |
| Melting Point: | 272-273 ºC |
| Boiling Point: | 409.4°C at 760mmHg |
| Flash Point: | 201.4°C |
| Appearance: | ochre-yellow fluffy powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 84.73000 |
| LogP: | 2.82960 |
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Specification
The cas register number of 5-Amino-6-nitroquinoline is 35975-00-9. It also can be called as 5-Quinolinamine, 6-nitro- and the Systematic name about this chemical is 6-nitroquinolin-5-amine.
Physical properties about 5-Amino-6-nitroquinoline are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.39; (6)ACD/BCF (pH 7.4): 14.68; (7)ACD/KOC (pH 5.5): 233.4; (8)ACD/KOC (pH 7.4): 238.09; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.95Å2; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 52.96 cm3; (15)Molar Volume: 130.8 cm3; (16)Surface Tension: 76 dyne/cm; (17)Density: 1.445 g/cm3; (18)Flash Point: 201.4 °C; (19)Enthalpy of Vaporization: 66.16 kJ/mol; (20)Boiling Point: 409.4 °C at 760 mmHg; (21)Vapour Pressure: 6.5E-07 mmHg at 25°C.
Uses of 5-Amino-6-nitroquinoline: It reacts with chloro-oxo-acetic acid ethyl ester to get N-(6-nitro-quinolin-5-yl)-oxalamic acid ethyl ester. This reaction needs solvent dimethylformamide at temperature of 50 °C. The reaction time is 1 hour. The yield is 80 %.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1.SMILES: [O-][N+](=O)c1ccc2ncccc2c1N
2.InChI: InChI=1/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2
3.InChIKey: TYBYHEXFKFLRFT-UHFFFAOYAF
4.Std. InChI: InChI=1S/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2