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CAS No.: | 393-11-3 |
---|---|
Name: | 4-Nitro-3-trifluoromethyl aniline |
Article Data: | 17 |
Molecular Structure: | |
Formula: |
C7H5F |
Molecular Weight: | 206.124 |
Synonyms: | m-Toluidine,a,a,a-trifluoro-4-nitro- (6CI,7CI,8CI);(4-Nitro-3-trifluoromethylphenyl)amine;3-Trifluoromethyl-4-nitroanilide;5-Amino-2-nitrobenzotrifluoride;a,a,a-Trifluoro-4-nitro-m-toluidine; |
EINECS: | 206-884-6 |
Density: | 1.503 g/cm3 |
Melting Point: | 125-129 °C(lit.) |
Boiling Point: | 326.4 °C at 760 mmHg |
Flash Point: | 151.2 °C |
Appearance: | light yellow crystal powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-36-36/37 |
Transport Information: | UN 2811 |
PSA: | 71.84000 |
LogP: | 3.30020 |
C7H3F3N4O2
4-nitro-3-(trifluoromethyl)benzeneamine
Conditions | Yield |
---|---|
Stage #1: C7H3F3N4O2 With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; tert-butyl alcohol In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: With sodium t-butanolate In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; chemoselective reaction; | 88% |
Conditions | Yield |
---|---|
With potassium tert-butylate; N,N-tetramethylene-thiocarbamoyl-sulphenamide In N,N-dimethyl-formamide at 20℃; for 0.333333h; | 71% |
With potassium tert-butylate; N,N-tetramethylene-thiocarbamoyl-sulphenamide In N,N-dimethyl-formamide at 20℃; for 0.333333h; | 71% |
2-iodo-4-nitro-5-(trifluoromethyl)aniline
methanol
A
4-nitro-3-(trifluoromethyl)benzeneamine
B
2-methoxy-4-nitro-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate at 90℃; for 20h; | A 43% B 29% |
2-nitrobenzotrifluoride
A
4-nitro-3-(trifluoromethyl)benzeneamine
B
2-nitro-3-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With 2,4,6-trichlorosulfenamide; potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 0.333333h; | A 33% B 14% |
Flutamide
A
4-nitro-3-(trifluoromethyl)benzeneamine
B
N-[4-amino-3-(trifluoromethyl)phenyl]acetamide
C
2-methyl-N-[4-amino-3-(trifluoromethyl)phenyl]propanamide
Conditions | Yield |
---|---|
With Rhodotorula mucilaginosa (ATCC 20129) In N,N-dimethyl-formamide at 20℃; for 336h; Physiological pH; Microbiological reaction; | A 11.1% B 3% C 3.3% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid und Erwaermen des Reaktionsprodukts mit aethanol.Natronlauge; | |
With nitric acid at -10℃; und Erwaermen einer aethanol.Loesung des Reaktionsprodukts (nach Abtrennung von Essigsaeure-<2-nitro-3-trifluormethyl-anilid>) mit wss.Salzsaeure; | |
Multi-step reaction with 2 steps 1: HNO3, H2SO4 2: aq. H2SO4 View Scheme | |
With nitric acid at -10℃; und Erwaermen einer aethanol.Loesung des Reaktionsprodukts (nach Abtrennung von Essigsaeure-<2-nitro-3-trifluormethyl-anilid>) mit wss.Salzsaeure; |
N-acetyl-3-trifluoromethylbenzenamine
A
4-nitro-3-(trifluoromethyl)benzeneamine
B
2-nitro-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid |
Conditions | Yield |
---|---|
With sulfuric acid |
Flutamide
A
4-nitro-3-(trifluoromethyl)benzeneamine
Conditions | Yield |
---|---|
With β‐cyclodextrin In phosphate buffer pH=7.4; Quantum yield; Irradiation; | |
With β‐cyclodextrin In phosphate buffer pH=7.4; Irradiation; |
Flutamide
4-nitro-3-(trifluoromethyl)benzeneamine
Conditions | Yield |
---|---|
With sodium hydroxide at 25℃; | |
With sodium hydroxide In ice-water; ethanol | |
With hydrogenchloride In methanol; water at 100℃; for 0.4h; Kinetics; Activation energy; Reagent/catalyst; Temperature; pH-value; | |
With sodium hydroxide In methanol; water at 80℃; for 3h; Kinetics; Activation energy; Reagent/catalyst; Temperature; Concentration; |
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Product Name: 3-Trifluoromethyl-4-nitroanilide (CAS NO.393-11-3)
Molecular Formula: C7H5F3N2O2
Molecular Weight: 206.12g/mol
Mol File: 393-11-3.mol
EINECS: 206-884-6
Melting Point: 125-129 °C(lit.)
Boiling point: 326.4 °C at 760 mmHg
Flash Point: 151.2 °C
Density: 1.503 g/cm3
Index of Refraction: 1.525 Molar Refractivity: 42.01 cm3
Molar Volume: 137 cm3
Surface Tension: 40.5 dyne/cm
Enthalpy of Vaporization: 56.86 kJ/mol
Vapour Pressure: 0.000216 mmHg at 25°C
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 6
Structure Descriptors of 3-Trifluoromethyl-4-nitroanilide (CAS NO.393-11-3):
IUPAC Name: 4-nitro-3-(trifluoromethyl)aniline
Canonical SMILES: C1=CC(=C(C=C1N)C(F)(F)F)[N+](=O)[O-]
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
Product Categories: Trifluoromethylbenzene serise; Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het
Safety Information of 3-Trifluoromethyl-4-nitroanilide (CAS NO.393-11-3):
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-20/21/22
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: 26-36-36/37
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.
RIDADR: UN2811
WGK Germany: 2
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
3-Trifluoromethyl-4-nitroanilide , its CAS NO. is 393-11-3, the synonyms are 4-Nitro-3-(trifluoromethyl)aniline ; Benzenamine, 4-nitro-3-(trifluoromethyl)- .