Identification | More | [Name]
2,3-Difluoroaniline | [CAS]
4519-40-8 | [Synonyms]
2,3-DIFLUOROANILINE 2,3-Difluorobenzenamine TIMTEC-BB SBB006565 2,3-Difluoroaniline,98% 2,3-Difluoroaniline 98% 2,3-difluorophenylamine Benzenamine, 2,3-difluoro- | [EINECS(EC#)]
224-847-2 | [Molecular Formula]
C6H5F2N | [MDL Number]
MFCD00010298 | [Molecular Weight]
129.11 | [MOL File]
4519-40-8.mol |
Chemical Properties | Back Directory | [Appearance]
clear light orange liquid | [Boiling point ]
68-69 °C
| [density ]
1.274 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.514(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Liquid | [pka]
2.19±0.10(Predicted) | [color ]
Clear light orange | [Specific Gravity]
1.274 | [Usage]
intermediate for liquid crystal and drugs | [BRN ]
2716500 | [InChI]
InChI=1S/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2 | [InChIKey]
YCCQGFYAVUTQFK-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=CC(F)=C1F | [CAS DataBase Reference]
4519-40-8(CAS DataBase Reference) |
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 . S27:Take off immediately all contaminated clothing . S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S36:Wear suitable protective clothing . | [RIDADR ]
2941 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214200 |
Hazard Information | Back Directory | [Chemical Properties]
clear light orange liquid | [Uses]
intermediate for liquid crystal and drugs | [Synthesis]
The general procedure for the synthesis of 2,3-difluoroaniline from 2,3-dibromo-5,6-difluoronitrobenzene was as follows: first, 0.638 g (2.01 mmol) of 2,3-dibromo-5,6-difluoronitrobenzene was dissolved in 4 mL of methanol. Subsequently, 48.4 mg of 10% Pd/C (50% wet) catalyst and 6.2 mg (0.06 mmol) of triethylamine were added to the solution. The atmosphere in the reaction vessel was replaced with hydrogen and the reaction mixture was stirred at 50 °C for 2 h under slight hydrogen pressure. The reaction mixture was analyzed by HPLC, which showed the presence of 2.2 area% of 2,3-dibromo-5,6-difluoroaniline as a residual intermediate. The reaction was continued under the same conditions for 0.5 hours. After completion of the reaction, the catalyst was removed by filtration. The resulting liquid was quantitatively analyzed by HPLC and the yield of 2,3-difluoroaniline was measured to be 93% and the intermediate 2,3-dibromo-5,6-difluoroaniline was completely consumed. | [References]
[1] Patent: EP2940002, 2015, A1. Location in patent: Paragraph 0075 |
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