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4-Nitro-3-trifluoromethyl aniline

4-Nitro-3-trifluoromethyl aniline Structure
CAS No.
393-11-3
Chemical Name:
4-Nitro-3-trifluoromethyl aniline
Synonyms
FLU-1;4-Nitro-α,α,α;TIMTEC-BB SBB006652;Flutamide Impurity A;Nilutamide Impurity 3;Nilutamide impurity B CRS;FlutaMide Related CoMpound A;2-Nitro-5-aminobenzotriluoride;5-AMINO-2-NITROBENZOTRIFLUORIDE;3-AMINO-6-NITROBENZOTRIFLUORIDE
CBNumber:
CB4483928
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.12
MOL File:
393-11-3.mol
MSDS File:
SDS
Modify Date:
2024/8/24 19:19:26

4-Nitro-3-trifluoromethyl aniline Properties

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 Solid
pka -0.22±0.10(Predicted)
color Yellow to Orange-Yellow
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

Risk and Safety Statements

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  36/37/38-20/21/22
Safety Statements  26-36-36/37
WGK Germany  2
Hazard Note  Irritant
HS Code  29214200
NFPA 704
1
2 0

4-Nitro-3-trifluoromethyl aniline price More Price(5)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) A68807 4-Nitro-3-(trifluoromethyl)aniline 98% 393-11-3 5G ₹4362.48 2022-06-14 Buy
TCI Chemicals (India) A0377 5-Amino-2-nitrobenzotrifluoride min. 98.0 % 393-11-3 5G ₹4800 2022-05-26 Buy
ALFA India ALF-A13798-06 4-Nitro-3-(trifluoromethyl)aniline, 98% 393-11-3 5g ₹6122 2022-05-26 Buy
TCI Chemicals (India) A0377 5-Amino-2-nitrobenzotrifluoride min. 98.0 % 393-11-3 25G ₹7300 2022-05-26 Buy
ALFA India ALF-A13798-03 4-Nitro-3-(trifluoromethyl)aniline, 98% 393-11-3 1g ₹1430 2022-05-26 Buy
Product number Packaging Price Buy
A68807 5G ₹4362.48 Buy
A0377 5G ₹4800 Buy
ALF-A13798-06 5g ₹6122 Buy
A0377 25G ₹7300 Buy
ALF-A13798-03 1g ₹1430 Buy

4-Nitro-3-trifluoromethyl aniline Chemical Properties,Uses,Production

Chemical Properties

Orange to Brown to Dark red powder to crystal.

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 ?á 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) |ímax 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.
Synthesis_393-11-3
Fig. The synthetic of 4-Nitro-3-trifluoromethyl aniline

4-Nitro-3-trifluoromethyl aniline Preparation Products And Raw materials

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