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CAS No.: | 393-49-7 |
---|---|
Name: | 2-Amino-4-Nitrobenzotrifluoride |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H5F3N2O2 |
Molecular Weight: | 206.124 |
Synonyms: | 5-Nitro-2-(trifluoromethyl)benzenamine;5-Nitro-2-(trifluoromethyl)aniline; |
Density: | 1.503 g/cm3 |
Boiling Point: | 305.9 °C at 760 mmHg |
Flash Point: | 138.8 °C |
Hazard Symbols: | Xi |
PSA: | 71.84000 |
LogP: | 3.30020 |
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The Benzenamine, 5-nitro-2-(trifluoromethyl)-, with the CAS registry number 393-49-7, is also known as 5-Nitro-2-(trifluoromethyl)benzenamine. This chemical's molecular formula is C7H5F3N2O2 and molecular weight is 206.12. What's more, its systematic name is 5-nitro-2-(trifluoromethyl)aniline.
Physical properties of Benzenamine, 5-nitro-2-(trifluoromethyl)- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.96; (6)ACD/BCF (pH 7.4): 89.96; (7)ACD/KOC (pH 5.5): 871.6; (8)ACD/KOC (pH 7.4): 871.6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 42.01 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 16.65×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.503 g/cm3; (19)Flash Point: 138.8 °C; (20)Enthalpy of Vaporization: 54.64 kJ/mol; (21)Boiling Point: 305.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000798 mmHg at 25°C.
Uses of Benzenamine, 5-nitro-2-(trifluoromethyl)-: it can be used to produce 1-(5-Nitro-2-trifluoromethylphenyl)-2-chloro-2,4-dicyanobutane at the temperature of 55 - 65 °C. It will need reagents Isopentyl nitrite; Copper(I) chloride; conc. HCl and various solvent(s). The yield is about 38%.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1N)[N+]([O-])=O
(2)InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(12(13)14)3-6(5)11/h1-3H,11H2
(3)InChIKey: LGHXDTHJGNCRKT-UHFFFAOYSA-N