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Cas Database |
| Name |
Benzene,(3,3,3-trifluoropropyl)- |
EINECS | N/A |
| CAS No. | 1579-80-2 | Density | 1.122 g/cm3 |
| PSA | 0.00000 | LogP | 3.18150 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9F3 | Boiling Point | 151.5 °C at 760 mmHg |
| Molecular Weight | 174.166 | Flash Point | 38.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
(3,3,3-Trifluoropropyl)benzene; |
Article Data | 19 |
Benzene,(3,3,3-trifluoropropyl)- Synthetic route
| Conditions | Yield |
|---|---|
| With 4-sulfanylphenol In ethanol; 1,2-dichloro-ethane at 23℃; for 18h; Schlenk technique; Microwave irradiation; | 79% |
- 126488-91-3
3-Chloro-1,1,1-trifluoro-3-phenylpropane
- 1579-80-2
(3,3,3-trifluoropropyl)benzene
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 50℃; | 62% |
- 34420-17-2
(2-phenylethyl)boronic acid
- 81290-20-2
(trifluoromethyl)trimethylsilane
- 1579-80-2
(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% |
- 677-21-4
1,1,1-trifluoropropylene
- 71-43-2
benzene
A
- 1579-80-2
(3,3,3-trifluoropropyl)benzene
B
- 86382-01-6
1,4-bis(3,3,3-trifluoropropyl)benzene
C
- 96256-35-8
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; |
- 107686-45-3
2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl methanesulfonate
- 1579-80-2
(3,3,3-trifluoropropyl)benzene
| Conditions | Yield |
|---|---|
| With tetramethlyammonium chloride In methanol 11 F/mol, Pb cathode; | 51% |
- 107686-45-3
2,2-dichloro-3,3,3-trifluoro-1-phenylpropyl methanesulfonate
A
- 1579-80-2
(3,3,3-trifluoropropyl)benzene
B
- 705-89-5, 74031-42-8, 74031-46-2
(E)-3,3,3-trifluoro-1-phenylpropene
| Conditions | Yield |
|---|---|
| With tetramethlyammonium chloride In methanol 6.5 F/mol, Pb cathode; | A 19% B 50% |
- 677-21-4
1,1,1-trifluoropropylene
- 71-43-2
benzene
A
- 1579-80-2
(3,3,3-trifluoropropyl)benzene
B
- 96256-33-6
1,1-difluoroindane
C
- 86382-01-6
1,4-bis(3,3,3-trifluoropropyl)benzene
D
- 96256-35-8
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 |
- 460-37-7
1,1,1-trifluoro-3-iodopropane
- 100-59-4
phenylmagnesium chloride
- 1579-80-2
(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. |
- 74031-42-8, 74031-46-2, 705-89-5
(3,3,3-trifluoroprop-1-enyl)benzene
- 1579-80-2
(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 |
Benzene,(3,3,3-trifluoropropyl)- Specification
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%.
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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
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