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386-71-0

386-71-0 Structure

386-71-0 Structure
IdentificationBack Directory
[Name]

2-nitro-3-(trifluoromethyl)aniline
[CAS]

386-71-0
[Synonyms]

NSC 10269
2-nitro-3-amino trifluorotolue
3-Amino-2-nitrobenzotrifluoride
2-nitro-3-aMino trifluorotoluene
3-Trifluoromethyl-2-nitroaniline
2-nitro-3-(trifluoromethyl)aniline
2-Nitro-3-(trifluoromethyl)benzenamine
(2-Nitro-3-trifluoroMethylphenyl)aMine
Benzenamine, 2-nitro-3-(trifluoromethyl)-
[Molecular Formula]

C7H5F3N2O2
[MDL Number]

MFCD00042448
[MOL File]

386-71-0.mol
[Molecular Weight]

206.12
Chemical PropertiesBack Directory
[Melting point ]

64 °C
[Boiling point ]

287.2±40.0 °C(Predicted)
[density ]

1.503±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

crystalline powder
[pka]

-1.45±0.10(Predicted)
[color ]

Golden yellow to faint orange (hint of green)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2921420090
Spectrum DetailBack Directory
[Spectrum Detail]

2-nitro-3-(trifluoromethyl)aniline(386-71-0)FT-IR
Hazard InformationBack Directory
[Synthesis]

N-(2-nitro-3-(trifluoroMethyl)phenyl)acetaMide

387-19-9

2-nitro-3-(trifluoromethyl)aniline

386-71-0

Step 3: Synthesis of 2-nitro-3-(trifluoromethyl)aniline; N-(2-nitro-3-(trifluoromethyl)phenyl)acetamide (0.9 g, 3.6 mmol) was dissolved in ethanol (23 mL), followed by addition of 20% aqueous sodium hydroxide solution (4.5 mL). The reaction mixture was heated to reflux for 1 hour. Upon completion of the reaction, it was cooled to room temperature and the solvent was removed by evaporation. The residue was diluted with water (50 mL) and extracted with ethyl acetate (2 x 25 mL). The organic layers were combined, dried over anhydrous sodium sulfate and concentrated to dryness to give 2-nitro-3-(trifluoromethyl)aniline as a yellow solid (0.67 g, 95.54% yield).1H NMR (300 MHz, DMSO-d6): δ (ppm) = 7.4-7.3 (m, 1H), 7.3 (d, J = 12Hz, 1H), 7.4-6.8 (m, 1H), 5.00 (pp. 1H), 5.00 (bs, 2H).

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 2, p. 526 - 530
[2] Patent: WO2010/115736, 2010, A2. Location in patent: Page/Page column 101
[3] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 23, p. 190
[4] Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1927, vol. <5> 13, p. 349
[5] Chem. Zentralbl., 1927, vol. 98, # II, p. 1817
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