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3-Nitro-5-trifluoromethylpyridin-2-ylamine

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Name

3-Nitro-5-trifluoromethylpyridin-2-ylamine

EINECS N/A
CAS No. 53359-69-6 Density 1.59 g/cm3
PSA 84.73000 LogP 2.69520
Solubility N/A Melting Point N/A
Formula C6H4F3N3O2 Boiling Point 273.869 °C at 760 mmHg
Molecular Weight 207.112 Flash Point 119.432 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53359-69-6 (2-Amino-3-nitro-5-trifluoromethylpyridine) Hazard Symbols N/A
Synonyms

2-Amino-3-nitro-5-(trifluoromethyl)pyridine;

Article Data 7

3-Nitro-5-trifluoromethylpyridin-2-ylamine 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

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