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CAS No.: | 1579-80-2 |
---|---|
Name: | (3,3,3-TRIFLUOROPROPYL)BENZENE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C9H9F3 |
Molecular Weight: | 174.166 |
Synonyms: | (3,3,3-Trifluoropropyl)benzene; |
Density: | 1.122 g/cm3 |
Boiling Point: | 151.5 °C at 760 mmHg |
Flash Point: | 38.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 3.18150 |
Conditions | Yield |
---|---|
With 4-sulfanylphenol In ethanol; 1,2-dichloro-ethane at 23℃; for 18h; Schlenk technique; Microwave irradiation; | 79% |
3-Chloro-1,1,1-trifluoro-3-phenylpropane
(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With potassium hydroxide at 50℃; | 62% |
(2-phenylethyl)boronic acid
(trifluoromethyl)trimethylsilane
(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With potassium fluoride; copper(l) iodide; silver tetrafluoroborate; 3,4,7,8-Tetramethyl-o-phenanthrolin; silver fluoride In N,N-dimethyl-formamide at 80℃; for 24h; Glovebox; Inert atmosphere; | 62% |
1,1,1-trifluoropropylene
benzene
A
(3,3,3-trifluoropropyl)benzene
B
1,4-bis(3,3,3-trifluoropropyl)benzene
C
bis(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride for 4.5h; Ambient temperature; | A 59% B n/a C n/a |
With hydrogen fluoride; boron trifluoride for 4.5h; Ambient temperature; |
2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl methanesulfonate
(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With tetramethlyammonium chloride In methanol 11 F/mol, Pb cathode; | 51% |
2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl methanesulfonate
A
(3,3,3-trifluoropropyl)benzene
B
(E)-3,3,3-trifluoro-1-phenylpropene
Conditions | Yield |
---|---|
With tetramethlyammonium chloride In methanol 6.5 F/mol, Pb cathode; | A 19% B 50% |
1,1,1-trifluoropropylene
benzene
A
(3,3,3-trifluoropropyl)benzene
B
1,1-difluoroindane
C
1,4-bis(3,3,3-trifluoropropyl)benzene
D
bis(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 100℃; for 40h; Product distribution; other catalysts, other benzene derivatives; | A 35% B 8% C n/a D n/a E n/a |
1,1,1-trifluoro-3-iodopropane
phenylmagnesium chloride
(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With copper(l) iodide In tetrahydrofuran at 20℃; Inert atmosphere; Glovebox; | 22% |
copper(l) iodide In tetrahydrofuran Ambient temperature; | 74 % Spectr. |
(3,3,3-trifluoroprop-1-enyl)benzene
(3,3,3-trifluoropropyl)benzene
Conditions | Yield |
---|---|
With methanol In acetonitrile at 20℃; for 24h; UV-irradiation; Inert atmosphere; | 8% |
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid; zinc |
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The Benzene,(3,3,3-trifluoropropyl)-, with the CAS registry number 1579-80-2, is also known as (3,3,3-Trifluoropropyl)benzene 97%. This chemical's molecular formula is C9H9F3 and molecular weight is 174.163. Its systematic name is called (3,3,3-trifluoropropyl)benzene.
Physical properties of Benzene,(3,3,3-trifluoropropyl)-: (1)ACD/LogP: 3.25; (2)#Freely Rotating Bonds: 2; (3)Index of Refraction: 1.44; (4)Molar Refractivity: 40.89 cm3; (5)Molar Volume: 155.1 cm3; (6)Surface Tension: 25.1 dyne/cm; (7)Density: 1.122 g/cm3; (8)Flash Point: 38.1 °C; (9)Enthalpy of Vaporization: 37.23 kJ/mol; (10)Boiling Point: 151.5 °C at 760 mmHg; (11)Vapour Pressure: 4.67 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-Chloro-1,1,1-trifluoro-3-phenylpropane. This reaction will need reagent potassium hydroxide with reaction temperature of 50 °C. The yield is about 62%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CCc1ccccc1
(2)InChI: InChI=1/C9H9F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: NLMURJDGDBEMAB-UHFFFAOYAP