2-Nitro-4-(trifluoromethyl)aniline
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2-Nitro-4-(trifluoromethyl)aniline
structure -
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CAS No:
400-98-6
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Formula:
C7H5F3N2O2
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Chemical Name:
2-Nitro-4-(trifluoromethyl)aniline
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Synonyms:
Benzenamine,2-nitro-4-(trifluoromethyl)-;p-Toluidine,α,α,α-trifluoro-2-nitro-;2-Nitro-4-(trifluoromethyl)benzenamine;α,α,α-Trifluoro-2-nitro-p-toluidine;2-Nitro-4-(trifluoromethyl)aniline;4-Amino-3-nitrobenzotrifluoride;4-(Trifluoromethyl)-2-nitroaniline;1-Amino-2-nitro-4-trifluoromethylbenzene;TX 101;NSC 13396;NSC 9429;(2-Nitro-4-trifluoromethylphenyl)amine
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CAS No:
2-Nitro-4-(trifluoromethyl)aniline Basic Attributes
206.12
206.12
650808
206-926-3
13396|9429
DTXSID6074912
2921420090
Characteristics
71.8
2
Yellow to golden Crystals or Crystalline Powder
1.5±0.1 g/cm3
109-110 °C
139.3°C at 760 mmHg
114.4±27.3 °C
1.525
8.06mmHg at 25°C
Safety Information
III
6.1
UN2811
3
20/21/22-36/37/38
26-36/37
Xn,Xi
Irritant
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
2-Nitro-4-(trifluoromethyl)aniline Use and Manufacturing
(109.5 g, 0.5 mol) and sulfuric acid solution (94percent by mass, 171.5 g) in the step (1) were mixed at a stirring rate of 550 rpm, The control temperature was 28 °C, A nitric acid solution (98percent by mass, 32.5 g, 0.51 mol) was added dropwise to the resulting mixture at a dropping rate of 40 g / min, and the nitration reaction was carried out for 2 h after completion of the dropwise addition; And then heating to 80 °C for deacetylation for 5 h to obtain a deacetylated material; cooling the deacetylated material to below 45 °C, adding to the ice water, precipitating the solid, filtering and washing the resulting solid material, And then subjected to caustic washing with an aqueous solution of sodium hydroxide (10percent by mass), filtered to a pH of the resulting alkaline solution pH = 7, the caustic wash was terminated and the resulting alkali washed solid was dried at 55 °C for 4.5 h, To give 4-trifluoromethoxy-2-nitroaniline;The obtained 4-trifluoromethoxy-2-nitroaniline was 104 g, and the GC analysis purity was 98.5percent and the yield was 94percent.
Used as medicine and pesticide intermediate
Benzenamine, 2-nitro-4-(trifluoromethyl)-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:206.12
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:206.03031189
Monoisotopic Mass:206.03031189
Topological Polar Surface Area:71.8
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Nitro-4-(trifluoromethyl)aniline
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