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| CAS No.: | 22353-52-2 |
|---|---|
| Name: | 5-Chloro-2-methoxy-3-nitropyridine |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C6H5ClN2O3 |
| Molecular Weight: | 188.57 |
| Synonyms: | 5-Chloro-2-methoxy-3-nitropyridine; |
| Density: | 1.445 g/cm3 |
| Melting Point: | 89-92 °C |
| Boiling Point: | 260 °C at 760 mmHg |
| Flash Point: | 111.1 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 67.94000 |
| LogP: | 2.17500 |
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Specification
The Pyridine,5-chloro-2-methoxy-3-nitro-, with the CAS registry number of 22353-52-2, is also known as 5-Chloro-2-methoxy-3-nitropyridine. It belongs to the product categories of blocks; NitroCompounds; Pyridines; Pyridine. This chemical's molecular formula is C6H5ClN2O3 and molecular weight is 190.5. What's more, its systematic name is 5-Chloro-2-methoxy-3-nitro-pyridine.
Physical properties about the Pyridine,5-chloro-2-methoxy-3-nitro- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 67.94 Å2; (9)Index of Refraction: 1.564; (10)Molar Refractivity: 42.46 cm3; (11)Molar Volume: 130.4 cm3; (12)Surface Tension: 51.4 dyne/cm; (13)Density: 1.445 g/cm3; (14)Flash Point: 111.1 °C; (15)Enthalpy of Vaporization: 47.76 kJ/mol; (16)Boiling Point: 260 °C at 760 mmHg; (17)Vapour Pressure: 0.0203 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(cc(cn1)Cl)[N+](=O)[O-]
(2) InChI: InChI=1/C6H5ClN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
(3) InChIKey: HJHWUNVJRITHTQ-UHFFFAOYAP