| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2 | [InChIKey]
UTKUVRNVYFTEHF-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C([N+]([O-])=O)C(C(F)(F)F)=C1 | [CAS DataBase Reference]
393-11-3(CAS DataBase Reference) | [NIST Chemistry Reference]
5-Amino-2-nitrobenzotrifluoride(393-11-3) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [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 | [REACH Registrations]
Active | [HS Code ]
29214200 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back 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.
Fig. The synthetic of 4-Nitro-3-trifluoromethyl aniline
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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