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| CAS No.: | 328-93-8 |
|---|---|
| Name: | 2,5-Bis(trifluoromethyl)aniline |
| Article Data: | 9 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H5F6N |
| Molecular Weight: | 229.125 |
| Synonyms: | 2,5-Xylidine,a,a,a,a',a',a'-hexafluoro- (7CI,8CI);2,5-Di(trifluoromethyl)aniline;Benzenamine,2,5-bis(trifluoromethyl)-; |
| EINECS: | 206-490-4 |
| Density: | 1.443 g/cm3 |
| Boiling Point: | 177.9 °C at 760 mmHg |
| Flash Point: | 83.3 °C |
| Appearance: | Colorless or pale yellow liquid |
| Hazard Symbols: |
 Xn，  T，  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2810 |
| PSA: | 26.02000 |
| LogP: | 3.88760 |
- 3289-47-24-Pyrimidinamine,2-methoxy-
- 3289-50-74-Pyrimidinamine,2,6-dimethoxy-
- 32895-16-21H-Azepine,1-(dimethoxymethyl)hexahydro-
- 3289-53-04-Pyrimidinamine,6-methoxy-2-(methylthio)-
- 328956-08-72(1H)-Quinolinone,6-fluoro-4-(trifluoromethyl)-
- 328956-56-5Carbamicacid, [2-(1-hydroxyethyl)phenyl]-, 1,1-dimethylethyl ester (9CI)
- 328956-61-2Boronic acid,B-(3-chloro-5-fluorophenyl)-
- 3289-75-6Acetamide,2-chloro-N-(4-chlorophenyl)-
- 328-99-4Benzoyl fluoride,3-(trifluoromethyl)-
- 32899-77-7DL-Glutamic acid, 4-(1-piperidinyl)-, diastereomer A
| Conditions | Yield |
|---|---|
| With hydrogen; nickel In isopropyl alcohol at 70 - 90℃; under 3677.86 Torr; for 8h; | 73% |
| With hydrogenchloride; tin(ll) chloride | |
| Stage #1: 1,4-Bis(trifluoromethyl)-2-nitro-benzene With hydrogenchloride; tin(II) chloride dihdyrate In methanol; water at 20 - 50℃; Stage #2: With sodium hydroxide In water pH=10; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: disulfuric acid; sulfuric acid; nitric acid 2: SnCl2+2H2O; concentrated HCl View Scheme | |
| Multi-step reaction with 2 steps 1.1: nitric acid; sulfuric acid / 0 - 110 °C 2.1: hydrogenchloride; tin(II) chloride dihdyrate / water; methanol / 20 - 50 °C 2.2: pH 10 View Scheme | |
| durch Nitrierung und Reduktion; |
| Conditions | Yield |
|---|---|
| With ammonia; water at 200℃; |
- 10388-10-0
2-chloro-1,4-bis-(trichloromethyl)-benzene
- 328-93-8
2,5-bis(trifluoromethyl)aniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: SbCl5; HF / 70 - 80 °C 2: water; ammonia / 200 °C View Scheme |
- 61350-01-4
N-[3-(trifluoromethyl)phenyl]-2-pyridinecarboxamide
- 328-93-8
2,5-bis(trifluoromethyl)aniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: copper(I) bromide; dipotassium peroxodisulfate / acetonitrile / 12 h / 50 °C 2: hydrogenchloride / ethanol / 12 h / 100 °C View Scheme |
- 328-93-8
2,5-bis(trifluoromethyl)aniline
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol at 100℃; for 12h; |
| Conditions | Yield |
|---|---|
| With formic acid In ethanol for 6h; Reflux; | 96% |
- 328-93-8
2,5-bis(trifluoromethyl)aniline
| Conditions | Yield |
|---|---|
| With pyridine In toluene at 90℃; for 3h; Temperature; | 95.2% |
- 328-93-8
2,5-bis(trifluoromethyl)aniline
- 73671-92-8
3-oxo-4-aza-5α-androstane-17β-carboxylic acid methyl ester
- 164656-22-8
(5α,17β)-N-[2,5-bis(trifluoromethyl)-phenyl]-3-oxo-4-aza-5-androstane-17-carboxamide
| Conditions | Yield |
|---|---|
| Stage #1: 3-oxo-4-aza-5α-androstane-17β-carboxylic acid methyl ester With boron tribromide In dichloromethane at 25℃; for 0.333333h; Stage #2: 2,5-bis(trifluoromethyl)aniline In dichloromethane at 50℃; | 93% |
- 328-93-8
2,5-bis(trifluoromethyl)aniline
- 302-97-6
androst-4-en-3-one-17β-carboxylic acid
- 164656-19-3
N-(2',5'-Bistrifluoromethylphenyl)-3-oxo-androst-4-ene-17β-carboxamide
| Conditions | Yield |
|---|---|
| Stage #1: 2,5-bis(trifluoromethyl)aniline With methylmagnesium chloride In tetrahydrofuran; toluene at 20℃; Large scale; Stage #2: androst-4-en-3-one-17β-carboxylic acid With dmap; thionyl chloride; potassium carbonate In toluene at 20 - 30℃; for 3h; Large scale; Stage #3: In tetrahydrofuran; toluene at 50 - 55℃; for 8h; Large scale; | 90.14% |
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Chemistry
IUPAC Name: 2,5-bis(Trifluoromethyl)aniline
Synonyms of 2,5-Di(trifluoromethyl)aniline (CAS NO.28-93-8): Benzenamine,2,5-bis(trifluoromethyl)- ; 2,5-Xylidine,a,a,a,a',a',a'-hexafluoro- (7CI,8CI)
CAS NO: 328-93-8
Molecular Formula: C8H5F6N
Molecular Weight: 229.12
Molecular Structure: 
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.423
Molar Refractivity: 40.44 cm3
Molar Volume: 158.7 cm3
Surface Tension: 22.9 dyne/cm
Density: 1.443 g/cm3
Flash Point: 83.3 °C
Enthalpy of Vaporization: 41.42 kJ/mol
Boiling Point: 177.9 °C at 760 mmHg
Vapour Pressure: 1.01 mmHg at 25°C
Melting point: 70-71 °C15 mm Hg(lit.)
Product Categories of 2,5-Di(trifluoromethyl)aniline (CAS NO.28-93-8): Fluorobenzene;Anilines, Aromatic Amines and Nitro Compounds;Nitrogen Compounds;Amines;C8;Aniline series
SMILES: FC(F)(F)c1ccc(cc1N)C(F)(F)F
InChI: InChI=1/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
InChIKey: XWMVIJUAZAEWIE-UHFFFAOYAV
Std. InChI: InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
Std. InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N
Safety Profile
Safety Information about 2,5-Di(trifluoromethyl)aniline (CAS NO.28-93-8):
Hazard Codes: 
XnXi 
T
Risk Statements: 20/21/22-36/37/38
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: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2810
WGK Germany: 3
Hazard Note: Toxic/Irritant
HazardClass: 6.1
PackingGroup: III