ChemicalBook--->CAS DataBase List--->700-17-4

700-17-4

700-17-4 Structure

700-17-4 Structure
IdentificationMore
[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 PropertiesBack 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 AnswerBack 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 DataBack 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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3,5,6-Tetrafluoroaniline(700-17-4).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALLINE MASS
[Synthesis]

4-AMINO-2,3,5,6-TETRAFLUOROBENZONITRILE

17823-38-0

2,3,5,6-Tetrafluoroaniline

700-17-4

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 DetailBack 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
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,3,5,6-Tetrafluoroaniline, 97%(700-17-4)
[Sigma Aldrich]

700-17-4(sigmaaldrich)
[TCI AMERICA]

2,3,5,6-Tetrafluoroaniline,>97.0%(GC)(700-17-4)
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