| Identification | More | [Name]
4-Amino-3-nitrobenzotrifluoride | [CAS]
400-98-6 | [Synonyms]
2-NITRO-4-(TRIFLUOROMETHYL)ANILINE
2-NITRO-A,A,A-TRIFLUORO-P-TOLUIDINE
2-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIDINE
3-NITRO-4-AMINOBENZOTRIFLUORIDE
3-NITRO-4-AMINOTRIFLUOROMETHYLBENZENE
3-NITRO-A,A,A-TRIFLUORO-P-TOLUIDINE
4-AMINO-3-NITROBENZOTRIFLUORIDE
4-TRIFLUOROMETHYL 2-NITROANILINE
A,A,A-TRIFLUORO-2-NITRO-P-TOLUIDINE
BUTTPARK 75\04-39
TIMTEC-BB SBB003488
2-Nitro-4-trifluoromethyl-phenylamine
alpha,alpha,alpha-Trifluoro-2-nitro-p-toluidine
Benzenamine, 2-nitro-4-(trifluoromethyl)-
p-Toluidine, alpha,alpha,alpha-trifluoro-2-nitro-
4-Amino-3-nitrobenzotrifluoride, 98% (2-Nitro-4-trifluoromethylaniline)
4-Amino-3-nitro-1-(trifluoromethyl)benzene
2-nitro-α,α,α-trifluoro-p-toluidine
4-Amino-3-nitrobenzotrifluoride 98%
4-Amino-3-nitrobenzotrifluoride98% | [EINECS(EC#)]
206-926-3 | [Molecular Formula]
C7H5F3N2O2 | [MDL Number]
MFCD00007155 | [Molecular Weight]
206.12 | [MOL File]
400-98-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Whitetoyellowcrystalpowde | [Melting point ]
105-106 °C(lit.) | [Boiling point ]
265.6±40.0 °C(Predicted) | [density ]
1.4711 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
soluble in Methanol,Toluene | [form ]
Crystals or Crystalline Powder | [pka]
-2.54±0.10(Predicted) | [color ]
Yellow to golden | [BRN ]
650808 | [InChI]
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2 | [InChIKey]
ATXBGHLILIABGX-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O | [CAS DataBase Reference]
400-98-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Aniline, 2-nitro-4-trifluoromethyl-(400-98-6) | [EPA Substance Registry System]
400-98-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN2811 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214300 | [Storage Class]
13 - Non Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Whitetoyellowcrystalpowde | [Uses]
4-Amino-3-nitrobenzotrifluoride can be used as pharmaceutical and pesticide intermediates. | [Synthesis]
N-(2-nitro-4-(trifluoromethyl)phenyl)acetamide (109.5 g, 0.5 mol) was used as a raw material and was mixed with 94% sulfuric acid solution (171.5 g) at a stirring rate of 550 rpm, and the reaction temperature was controlled to be 28 °C. Subsequently, 98% nitric acid solution (32.5 g, 0.51 mol) was added dropwise to the mixture at a dropwise acceleration rate of 40 g/min. After the dropwise addition, the nitrification reaction was continued for 2 hours. After completion of the reaction, the reaction system was heated to 80°C and the deacetylation reaction was carried out for 5 hours to obtain the deacetylated product. The deacetylation product was cooled to below 45°C and slowly added to ice water to precipitate the solid. The resulting solid was filtered and washed, followed by alkaline washing with 10% aqueous sodium hydroxide solution until the pH of the filtrate reached 7, terminating the alkaline washing process. The alkali washed solid was dried at 55 °C for 4.5 h. 104 g of 4-trifluoromethoxy-2-nitroaniline was finally obtained, which was analyzed by GC with a purity of 98.5% and a yield of 94%. | [References]
[1] Kogyo Kagaku Zasshi, 1959, vol. 62, p. 706,708
[2] Chem. Zentralbl., 1960, vol. 131, p. 7854
[3] Journal of Medicinal Chemistry, 1995, vol. 38, # 10, p. 1786 - 1792
[4] Organic and Biomolecular Chemistry, 2016, vol. 14, # 9, p. 2645 - 2650
[5] Patent: CN107032965, 2017, A. Location in patent: Paragraph 0081; 0084; 0085; 0095; 0099; 0100; 0111; 0112 |
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