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Cas Database |
| Name |
4-Nitro-3-trifluoromethyl aniline |
EINECS | 206-884-6 |
| CAS No. | 393-11-3 | Density | 1.503 g/cm3 |
| PSA | 71.84000 | LogP | 3.30020 |
| Solubility | N/A | Melting Point |
125-129 °C(lit.) |
| Formula |
C7H5F |
Boiling Point | 326.4 °C at 760 mmHg |
| Molecular Weight | 206.124 | Flash Point | 151.2 °C |
| Transport Information | UN 2811 | Appearance | light yellow crystal powder |
| Safety | 26-36-36/37 | Risk Codes | 36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| 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; |
Article Data | 17 |
4-Nitro-3-trifluoromethyl aniline Synthetic route
- 1440512-29-7
C7H3F3N4O2
- 393-11-3
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% |
- 852569-37-0
2-iodo-4-nitro-5-(trifluoromethyl)aniline
- 67-56-1
methanol
A
- 393-11-3
4-nitro-3-(trifluoromethyl)benzeneamine
B
- 40726-08-7
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% |
- 384-22-5
2-nitrobenzotrifluoride
A
- 393-11-3
4-nitro-3-(trifluoromethyl)benzeneamine
B
- 386-71-0
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% |
- 13311-84-7
Flutamide
A
- 393-11-3
4-nitro-3-(trifluoromethyl)benzeneamine
B
- 1579-89-1
N-[4-amino-3-(trifluoromethyl)phenyl]acetamide
C
- 39235-51-3
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; |
- 351-36-0
N-acetyl-3-trifluoromethylbenzenamine
A
- 393-11-3
4-nitro-3-(trifluoromethyl)benzeneamine
B
- 402-14-2
2-nitro-5-(trifluoromethyl)aniline
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 13311-84-7
Flutamide
A
- 393-11-3
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; |
- 13311-84-7
Flutamide
- 393-11-3
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; |
4-Nitro-3-trifluoromethyl aniline Chemical Properties
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
4-Nitro-3-trifluoromethyl aniline Safety Profile
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
4-Nitro-3-trifluoromethyl aniline Specification
3-Trifluoromethyl-4-nitroanilide , its CAS NO. is 393-11-3, the synonyms are 4-Nitro-3-(trifluoromethyl)aniline ; Benzenamine, 4-nitro-3-(trifluoromethyl)- .
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