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| CAS No.: | 53359-69-6 |
|---|---|
| Name: | 2-Amino-3-nitro-5-trifluoromethylpyridine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H4F3N3O2 |
| Molecular Weight: | 207.112 |
| Synonyms: | 2-Amino-3-nitro-5-(trifluoromethyl)pyridine; |
| Density: | 1.59 g/cm3 |
| Boiling Point: | 273.869 °C at 760 mmHg |
| Flash Point: | 119.432 °C |
| PSA: | 84.73000 |
| LogP: | 2.69520 |
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- Total:22 Page 1 of 1 1
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Specification
The 2-Pyridinamine,3-nitro-5-(trifluoromethyl)-, with the CAS registry number 53359-69-6, is also known as 2-Amino-3-nitro-5-(trifluoromethyl)pyridine. This chemical's molecular formula is C6H4F3N3O2 and molecular weight is 207.1101. What's more, its systematic name is called 3-Nitro-5-(trifluoromethyl)pyridin-2-amine.
Physical properties about 2-Pyridinamine,3-nitro-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 70; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 731; (8)ACD/KOC (pH 7.4): 731; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.73 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 40.106 cm3; (15)Molar Volume: 130.29 cm3; (16)Surface Tension: 46.345 dyne/cm; (17)Density: 1.59 g/cm3; (18)Flash Point: 119.432 °C; (19)Enthalpy of Vaporization: 51.223 kJ/mol; (20)Boiling Point: 273.869 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(cnc1N)C(F)(F)F
(2) InChI: InChI=1/C6H4F3N3O2/c7-6(8,9)3-1-4(12(13)14)5(10)11-2-3/h1-2H,(H2,10,11)
(3) InChIKey: LHUVKANNSWTRJI-UHFFFAOYAD