ChemicalBook > CAS DataBase List > 4-Nitro-3-trifluoromethyl aniline

4-Nitro-3-trifluoromethyl aniline

Product Name
4-Nitro-3-trifluoromethyl aniline
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
Formula Weight
206.12
MOL File
393-11-3.mol
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4-Nitro-3-trifluoromethyl aniline Property

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)
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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
A68807
Product name
4-Nitro-3-(trifluoromethyl)aniline
Purity
98%
Packaging
5g
Price
$57.6
Updated
2024/03/01
Sigma-Aldrich
Product number
1285997
Product name
Flutamide Related Compound A
Purity
United States Pharmacopeia (USP) Reference Standard
Packaging
20mg
Price
$1300
Updated
2024/03/01
TCI Chemical
Product number
A0377
Product name
5-Amino-2-nitrobenzotrifluoride
Purity
>98.0%(GC)
Packaging
5g
Price
$18
Updated
2024/03/01
TCI Chemical
Product number
A0377
Product name
5-Amino-2-nitrobenzotrifluoride
Purity
>98.0%(GC)
Packaging
25g
Price
$60
Updated
2024/03/01
Alfa Aesar
Product number
A13798
Product name
4-Nitro-3-(trifluoromethyl)aniline, 98%
Packaging
1g
Price
$31.65
Updated
2024/03/01
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4-Nitro-3-trifluoromethyl aniline Chemical Properties,Usage,Production

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

Orange to Brown to Dark red powder to crystal.

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 ?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.

Fig. The synthetic of 4-Nitro-3-trifluoromethyl aniline

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

Raw materials

Preparation Products

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View Lastest Price from 4-Nitro-3-trifluoromethyl aniline manufacturers

Wuhan Cell Pharmaceutical Co., Ltd
Product
4-Nitro-3-trifluoromethyl aniline 393-11-3
Price
US $7.00-123.00/g
Min. Order
1g
Purity
99%
Supply Ability
100kg
Release date
2023-03-29
Shaanxi Dideu Medichem Co. Ltd
Product
4-Nitro-3-trifluoromethyl aniline 393-11-3
Price
US $0.00-0.00/KG
Min. Order
50mg
Purity
99%HPLC
Supply Ability
2000tons
Release date
2020-01-08
qingdao future trading Co., Ltd
Product
4-Nitro-3-trifluoromethyl aniline 393-11-3
Price
US $600.00/g
Min. Order
1g
Purity
98%
Supply Ability
10tons
Release date
2023-06-14

393-11-3, 4-Nitro-3-trifluoromethyl anilineRelated Search:


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