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ChemicalBook--->CAS DataBase List--->64248-59-5

64248-59-5

64248-59-5 Structure

64248-59-5 Structure
IdentificationMore
[Name]

2,3-DIFLUOROBENZOTRIFLUORIDE
[CAS]

64248-59-5
[Synonyms]

1,2-DIFLUORO-3-TRIFLUOROMETHYL-BENZENE
2,3-DIFLUOROBENZOTRIFLUORIDE
2,3-Difluorobenzotrifluoride, 97+%
[Molecular Formula]

C7H3F5
[MDL Number]

MFCD01631429
[Molecular Weight]

182.09
[MOL File]

64248-59-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

115.9±35.0 °C(Predicted)
[density ]

1.386±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

liquid
[color ]

Clear, almost colourless
[InChI]

InChI=1S/C7H3F5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
[InChIKey]

CBOJZWDLNLMBLM-UHFFFAOYSA-N
[SMILES]

C1(F)=CC=CC(C(F)(F)F)=C1F
[CAS DataBase Reference]

64248-59-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R10:Flammable.
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 .
S36:Wear suitable protective clothing .
[RIDADR ]

1993
[Hazard Note ]

Flammable
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2903998090
Hazard InformationBack Directory
[Uses]

1,2-Difluoro-3-trifluoromethylbenzene
[Synthesis]

2-Chloro-3-fluorobenzotrifluoride

1099597-97-3

2,3-DIFLUOROBENZOTRIFLUORIDE

64248-59-5

General procedure for the synthesis of 2,3-difluorobenzotrifluoride from 2-chloro-3-fluorobenzotrifluoride: First, 11,490 g of DMI (1,3-dimethyl-2-imidazolidinone) was added as a solvent to a reactor, followed by the addition of 20 L of fluoroalkyl compounds, 1,125 g of high-purity water, spray-dried KF (potassium fluoride), 35 g of 18-crown ether-6, and 805 g of toluene. Reduced pressure distillation was carried out to remove toluene and further purified using azeotropy with water. Subsequently, the clear grade fraction was dried with high purity nitrogen. 93.1% pure 3-fluoro-2-chlorobenzotrifluoride (134% dosage with toluene as solvent) was heated to 230°C and the reaction lasted for 8 hours. After completion of the reaction, distillation was carried out under reduced pressure (0.01 to 0.02 MPa) and the fractions from 44 to 46 °C were collected to give 1184.8 g of 2,3-difluorobenzotrifluoride, with a product purity of 98.9% and a yield of 95.9%.

[References]

[1] Patent: CN107488098, 2017, A. Location in patent: Paragraph 0030
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIFLUOROBENZOTRIFLUORIDE(64248-59-5)1HNMR
2,3-DIFLUOROBENZOTRIFLUORIDE(64248-59-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,3-Difluorobenzotrifluoride, 97+%(64248-59-5)
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