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393-11-3

393-11-3 Structure

393-11-3 Structure
IdentificationMore
[Name]

4-Nitro-3-trifluoromethyl aniline
[CAS]

393-11-3
[Synonyms]

2-NITRO-5-AMINO BENZOTRIFLUORIDE
3-AMINO-6-NITROBENZOTRIFLUORIDE
4-NITRO-3-(TRIFLUOROMETHYL)ANILINE
4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE
5-AMINO-2-NITROBENZOTRIFLUORIDE
TIMTEC-BB SBB006652
Benzenamine, 4-nitro-3-(trifluoromethyl)-
4-Nitro-α,α,α-trifluoro-m-toluidine
3-Trifluoromethyl-4-nitroaniline
4-Nitro-3-(trifluoromethyl) aniline (3-Amino-6-nitrobenzotrifluoride)
4-Nitro-3-aminobenzotrifluoride
4-Nitro-3-trifluoromethylaniline(Flutamide impurity)
5-Amino-2-nitrobenzotrifluoride,97%
5-Amino-2-nitrobenzotrifluoride 98%
5-Amino-2-nitrobenzotrifluoride98%
2-NITRO-5-AMINOBENZOTRIFLUORIDE(3-TRIFLUOROMETHYL-4-NITROANILINE)
3-trifluoromethyl-4-nitroanilide
4-Nitro-3-(trifluormethyl)anilin
3-trifluoromethyl-4-nitroaniune
5-Amino-2-nitrobenzotrifluoride, 4-Nitro-α,α,α-trifluoro-m-toluidine
[EINECS(EC#)]

206-884-6
[Molecular Formula]

C7H5F3N2O2
[MDL Number]

MFCD00014717
[Molecular Weight]

206.12
[MOL File]

393-11-3.mol
Chemical PropertiesBack Directory
[Appearance]

lightyellowcrystalpowde
[Melting point ]

125-129 °C (lit.)
[Boiling point ]

326.4±42.0 °C(Predicted)
[density ]

1.4711 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

-0.22±0.10(Predicted)
[color ]

Yellow to Orange-Yellow
[Detection Methods]

HPLC,NMR
[BRN ]

2650702
[InChIKey]

UTKUVRNVYFTEHF-UHFFFAOYSA-N
[CAS DataBase Reference]

393-11-3(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Amino-2-nitrobenzotrifluoride(393-11-3)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

2
[Hazard Note ]

Irritant
[HS Code ]

29214200
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-nitro-3-(trifluoromethyl)aniline-->2-Nitrobenzotrifluoride
[Preparation Products]

Flutamide-->HYDROXYFLUTAMIDE-->2-(Trifluoromethyl)benzene-1,4-diamine-->5-Bromo-2-nitrobenzotrifluoride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitro-3-trifluoromethyl aniline(393-11-3).msds
Hazard InformationBack Directory
[Description]

4-Nitro-3-trifluoromethyl aniline is an organic intermediate, which can be used to prepare 4-bromo-2-nitrotrifluorotoluene, an intermediate of medicine and optical waveguide materials, and flutamide, a non steroidal anti androgen drug.
[Chemical Properties]

lightyellowcrystalpowde
[Uses]

4-Nitro-3-(trifluoromethyl)aniline is a metabolite of Flutamide (F598850) (FLU-1 or M2).
[Uses]

A metabolite of Flutamide (FLU-1 or M2).
[Synthesis]

The thiazolium salt 3 (3.30 mg, 0.0122 mmol) was added to a solution of 1-azido-4-nitrobenzene (0.122 mmol) and t-BuOH (18.0 mg, 0.244 mmol) in degassed THF (0.50 mL) under argon at r.t. The resulting suspension was stirred for 5 min, and then NaOt-Bu (23.4 mg, 0.244 mmol) was added in one portion, and the mixture was stirred (Table 2). Water (2 mL) was added, and the products were extracted with EtOAc (2 × 2 mL), the combined organic phase was dried over anhyd MgSO4, filtered, and concentrated in vacuo. Purification was achieved by passing the resulting residue through a short pad of silica (eluting with 50% light PE-EtOAc) unless otherwise stated.
4-Nitro-3-trifluoromethyl aniline, Time: 12 h, Pale yellow solid (21.0 mg, 84%). (70:30 petrol-EtOAc) 0.5; mp 90-93 °C (lit., 92-93 °C); IR (FTIR, CHCl3) νmax cm-1: 3535 (NH2), 3434 (NH2), 1635, 1592 (NO2), 1520 (NO2), 1119; 1H NMR (400 MHz, DMSO-6) 8.59 (d, = 2.7 Hz, 1H), 8.55 (dd, = 9.3, 2.7 Hz, 1H), 7.55 (br s, 2H), 7.32 (d, = 9.3 Hz, 1H); 13C NMR (100 MHz, DMSO-6) 151.8 (C), 135.0 (C), 128.7 (CH), 123.7 (J = 5.9 Hz, F3N2NaO2 [M+Na]+, 229.0195; found, 229.0195. synthetic of 4-Nitro-3-trifluoromethyl aniline Fig. The synthetic of 4-Nitro-3-trifluoromethyl aniline
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitro-3-trifluoromethyl aniline(393-11-3)MS
4-Nitro-3-trifluoromethyl aniline(393-11-3)1HNMR
4-Nitro-3-trifluoromethyl aniline(393-11-3)FT-IR
4-Nitro-3-trifluoromethyl aniline(393-11-3)Raman
4-Nitro-3-trifluoromethyl aniline(393-11-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Amino-2-nitrobenzotrifluoride, 98%(393-11-3)
[Alfa Aesar]

4-Nitro-3-(trifluoromethyl)aniline, 98%(393-11-3)
[Sigma Aldrich]

393-11-3(sigmaaldrich)
[TCI AMERICA]

5-Amino-2-nitrobenzotrifluoride,>95.0%(GC)(393-11-3)
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