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| CAS No.: | 79966-13-5 |
|---|---|
| Name: | 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H7ClN2O3 |
| Molecular Weight: | 238.63 |
| Synonyms: | AURORA KA-3191;4-CHLORO-1-METHYL-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONE;4-CHLORO-1-METHYL-3-NITROQUINOLIN-2(1H)-ONE;4-Chloro-1,2-dihydro-1-methyl-3-nitroquinolin-2-one;4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one;4-Chloro-1,2-dihydro-1-methyl-3-nitro-2-oxoquinoline |
| Density: | 1.51 g/cm3 |
| Melting Point: | 224-227 °C |
| Boiling Point: | 301.9 °C at 760 mmHg |
| Flash Point: | 136.4 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 67.82000 |
| LogP: | 2.62330 |
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Specification
The cas register number of 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one is 79966-13-5. It also can be called as 4-Chloro-1,2-dihydro-1-methyl-3-nitroquinolin-2-one and the IUPAC Name about this chemical is 4-chloro-1-methyl-3-nitroquinolin-2-one. It belongs to the following product categories, such as Halides, Fused Ring Systems and so on.
Physical properties about 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one are: (1)ACD/LogP: 1.25; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 66.13Å2; (5)Index of Refraction: 1.653; (6)Molar Refractivity: 57.54 cm3; (7)Molar Volume: 157.1 cm3; (8)Polarizability: 22.81x10-24cm3; (9)Surface Tension: 62.6 dyne/cm; (10)Enthalpy of Vaporization: 54.21 kJ/mol; (11)Vapour Pressure: 0.00102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C\2=C(/Cl)c1c(cccc1)N(C/2=O)C
(2)InChI: InChI=1/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
(3)InChIKey: KPDOVJBEKCRATD-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
(5)Std. InChIKey: KPDOVJBEKCRATD-UHFFFAOYSA-N