ChemicalBook--->CAS DataBase List--->80172-04-9

80172-04-9

80172-04-9 Structure

80172-04-9 Structure
IdentificationMore
[Name]

3,4,5-TRIFLUOROBENZOTRIFLUORIDE
[CAS]

80172-04-9
[Synonyms]

1,2,3-TRIFLUORO-5-TRIFLUOROMETHYL-BENZENE
3,4,5-TRICHLORO-TRIFLUOROTOLUENE
3,4,5-TRIFLUOROBENZOTRIFLUORIDE
ALPHA,ALPHA,ALPHA,3,4,5-HEXAFLUOROTOLUENE
3,4,5-Trifluorobenzotrifluoride, 97+%
2,4,5-Trifluorobenzotrifluorid
[Molecular Formula]

C7H2F6
[MDL Number]

MFCD00153280
[Molecular Weight]

200.08
[MOL File]

80172-04-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

98.1±35.0 °C(Predicted)
[density ]

1.475±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

Clear, colourless
[CAS DataBase Reference]

80172-04-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2903998090
Hazard InformationBack Directory
[Synthesis]

3,4,5-Trichlorobenzotrifluoride

50594-82-6

3,4,5-TRIFLUOROBENZOTRIFLUORIDE

80172-04-9

The general procedure for the synthesis of 3,4,5-trichlorobenzotrifluoride from 3,4,5-trichlorobenzotrifluoride was as follows: 860 g of dried cyclobutanesulfone and 524 g of dried potassium fluoride (KF) were added to an autoclave followed by the addition of an appropriate amount of water. Next, 500 g of 3,4,5-trichlorobenzotrifluoride, 5 g of nitrobenzene and 25 g of CNC catalyst were added. After sealing the autoclave, the reaction mixture was heated to 200 °C and maintained for 5 hours, then warmed up to 220 °C to continue the reaction for 12 hours. The maximum total pressure was controlled at 9 bar during the reaction. Upon completion of the reaction, the mixture was cooled to 20 °C and the product was transferred to the cooled receiver by depressurization. Subsequently, the product was distilled at standard pressure. The crude product was redistilled to give 300 g of 3,4,5-trifluorobenzotrifluoride in 75% of the theoretical value and the product was a colorless liquid.

[References]

[1] Patent: US2006/9643, 2006, A1. Location in patent: Page/Page column 5
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