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| CAS No.: | 99368-67-9 |
|---|---|
| Name: | 2-CHLORO-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C6H2N2O2ClF3 |
| Molecular Weight: | 226.542 |
| Synonyms: | 2-Chloro-3-trifluoromethyl-5-nitropyridine; |
| Density: | 1.618 g/cm3 |
| Boiling Point: | 249.4 °C at 760 mmHg |
| Flash Point: | 104.7 °C |
| PSA: | 58.71000 |
| LogP: | 3.18520 |
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Specification
The 2-Chloro-5-nitro-3-trifluoromethylpyridine, with its CAS registry number 99368-67-9, is also known as 2-Chloro-3-trifluoromethyl-5-nitropyridine. And this chemical has its molecular formula of C6H2N2O2ClF3 and molecular weight of 226.54. Besides, it should be kept at room temperature.
Physical properties of 2-Chloro-5-nitro-3-trifluoromethylpyridine: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.71 Å2; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 40.76 cm3; (9)Molar Volume: 139.9 cm3; (10)Polarizability: 16.16×10-24cm3; (11)Surface Tension: 39 dyne/cm; (12)Density: 1.618 g/cm3; (13)Flash Point: 104.7 °C; (14)Enthalpy of Vaporization: 46.7 kJ/mol; (15)Boiling Point: 249.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0362 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)c1cc(cnc1Cl)[N+]([O-])=O
(2)Std. InChI:InChI=1S/C6H2ClF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H
(3)Std. InChIKey:OPEZLLCPUDLUFV-UHFFFAOYSA-N