| Identification | More | [Name]
2,3,5,6-Tetrafluoroaniline | [CAS]
700-17-4 | [Synonyms]
2,3,5,6-TETRAFLUOROANILINE
2,3,5,6-TETRAFLUOROBENZENAMINE
1-Amino-2,3,5,6-tetrafluorobenzene
2,3,5,6-Tetrafluoraniline
Aniline, 2,3,5,6-tetrafluoro-
Benzenamine, 2,3,5,6-tetrafluoro-
Tetrafluoroaniline3
2,3,5,6-Tetrafluoroaniline 98%
2,3,5,6-Tetrafluoroaniline98% | [EINECS(EC#)]
211-840-4 | [Molecular Formula]
C6H3F4N | [MDL Number]
MFCD00007644 | [Molecular Weight]
165.09 | [MOL File]
700-17-4.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE CRYSTALLINE MASS | [Melting point ]
31-32 °C(lit.)
| [Boiling point ]
158 °C(lit.)
| [density ]
1,744 g/cm3 | [Fp ]
145 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
perchloric acid: soluble | [form ]
powder to lump to clear liquid | [pka]
-0.22±0.10(Predicted) | [color ]
White or Colorless to Light orange to Yellow | [BRN ]
2211579 | [InChI]
InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2 | [InChIKey]
SPSWJTZNOXMMMV-UHFFFAOYSA-N | [SMILES]
C1(N)=C(F)C(F)=CC(F)=C1F | [CAS DataBase Reference]
700-17-4(CAS DataBase Reference) | [NIST Chemistry Reference]
2,3,5,6-Tetrafluoroaniline(700-17-4) |
| Questions And Answer | Back Directory | [Uses]
2,3,5,6-Tetrafluoroaniline is a white solid and an important pharmaceutical and pesticide intermediate. It can be used as a raw material to synthesize a variety of drugs that are effective in treating inflammation and depression, and has good pharmaceutical effects. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
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 .
S36:Wear suitable protective clothing . | [RIDADR ]
2941 | [WGK Germany ]
3
| [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214200 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE CRYSTALLINE MASS | [Synthesis]
The general procedure for the synthesis of 2,3,5,6-tetrafluoroaniline from 4-amino-2,3,5,6-tetrafluorobenzonitrile was as follows: 867.6 grams of sulfuric acid with a mass fraction of 90% was added to the reactor, and the temperature was raised to 100°C. The reaction was carried out at a uniform rate. Under stirring, 482 g of 4-amino-2,3,5,6-tetrafluorobenzonitrile was added at a uniform rate, and the addition process was controlled to be completed within 2 hours. After the addition was completed, the reaction temperature was maintained at 100 °C to continue the reaction for 3 hours. Subsequently, 165 g of water was added to the reaction system, the sulfuric acid concentration was diluted to 80%, and the reaction temperature was raised to 120 °C and maintained at this temperature for 10 hours. After that, the reaction temperature was further increased to 130°C and the reaction was continued for 5 hours. Upon completion of the reaction, the reaction system was cooled to room temperature. Under the cooling condition, 300 g of water was added to the reaction system, and then 1715 g of 45% aqueous sodium hydroxide solution was slowly added dropwise for neutralization until the pH reached 9. After the neutralization was completed, the temperature was raised for distillation, and ultimately, 410 g of a white solid product 2,3,5,6-tetrafluoroaniline was obtained with a purity of 99.8% and a yield of 98%. | [References]
[1] Patent: CN107915647, 2018, A. Location in patent: Paragraph 0024; 0026; 0027; 0029
[2] C. A., 1968, vol. 69, p. 35787
[3] , Gmelin Handbook: F: PerFHalOrg.7, 1, page 1 - 84, |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,3,5,6-Tetrafluoroaniline(700-17-4)MS
2,3,5,6-Tetrafluoroaniline(700-17-4)1HNMR
2,3,5,6-Tetrafluoroaniline(700-17-4)IR1
2,3,5,6-Tetrafluoroaniline(700-17-4)IR2
|
|
|