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CAS No.: | 2240-88-2 |
---|---|
Name: | 3,3,3-Trifluoro-1-propanol |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C3H5F3O |
Molecular Weight: | 114.067 |
Synonyms: | 2-(Trifluoromethyl)ethanol; |
EINECS: | -0 |
Density: | 1.24 g/cm3 |
Boiling Point: | 86.5 ºC at 760 mmHg |
Flash Point: | 47.1 ºC |
Solubility: | Fully miscible in water. |
Hazard Symbols: | F |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN1993 |
PSA: | 20.23000 |
LogP: | 0.93110 |
Conditions | Yield |
---|---|
With potassium hydroxide; benzyl tri-n-butylammonium bromide at 75 - 80℃; for 0.333333h; | 96% |
Conditions | Yield |
---|---|
With hydrogen; potassium carbonate In methanol at 80℃; under 37503.8 Torr; for 3h; Reagent/catalyst; Pressure; Temperature; Autoclave; | 95% |
1,1,1-trifluoropropylene
A
1,1,1-trifluoroisopropanol
B
3,3,3-Trifluoropropanol
Conditions | Yield |
---|---|
Stage #1: 1,1,1-trifluoropropylene With borane-THF at 20℃; Hydroboration; Stage #2: With dihydrogen peroxide Oxidation; | A 56% B 24% |
Stage #1: 1,1,1-trifluoropropylene With bis(cyclohexanyl)borane In tetrahydrofuran at 20℃; for 16h; Stage #2: With dihydrogen peroxide In tetrahydrofuran alkaline solution; |
ethyleneglycol sulfate
iodotrifluoromethane
A
Iodoethanol
B
3,3,3-Trifluoropropanol
Conditions | Yield |
---|---|
With Tetrakis(dimethylamino)ethylen In tetrahydrofuran at -20 - 20℃; | A 55% B 45% |
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With diethyl ether; oxygen; magnesium |
3,3,3-Trifluoropropanol
Conditions | Yield |
---|---|
With potassium hydroxide; sodium tetrahydroborate |
1,1,1-trifluoropropylene
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
A
1,1,1-trifluoroisopropanol
B
3,3,3-Trifluoropropanol
Conditions | Yield |
---|---|
Stage #1: 1,1,1-trifluoropropylene; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; Wilkinson's catalyst In tetrahydrofuran at 20℃; for 2h; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran Further stages. Title compound not separated from byproducts.; |
1,1,1-trifluoropropylene
benzo[1,3,2]dioxaborole
A
1,1,1-trifluoroisopropanol
B
3,3,3-Trifluoropropanol
Conditions | Yield |
---|---|
Stage #1: 1,1,1-trifluoropropylene; benzo[1,3,2]dioxaborole; [Rh(COD)(dppb)](1+)*BF4(1-) In tetrahydrofuran at -25℃; for 0.75h; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran Further stages. Title compound not separated from byproducts.; | |
Stage #1: 1,1,1-trifluoropropylene; benzo[1,3,2]dioxaborole With triphenylphosphine; Wilkinson's catalyst In tetrahydrofuran at 20℃; for 1h; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran Further stages. Title compound not separated from byproducts.; |
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Molecule structure of 3,3,3-Trifluoro-1-propanol (CAS NO.2240-88-2):
IUPAC Name: 3,3,3-Trifluoropropan-1-ol
Molecular Weight: 114.06641 g/mol
Molecular Formula: C3H5F3O
Density: 1.24 g/cm3
Boiling Point: 86.5 °C at 760 mmHg
Flash Point: 47.1 °C
Index of Refraction: 1.314
Molar Refractivity: 17.93 cm3
Molar Volume: 91.9 cm3
Polarizability: 7.11×10-24 cm3
Surface Tension: 18.9 dyne/cm
Enthalpy of Vaporization: 38.1 kJ/mol
Vapour Pressure: 41.9 mmHg at 25 °C
XLogP3: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 114.029249
MonoIsotopic Mass: 114.029249
Topological Polar Surface Area: 20.2
Heavy Atom Count: 7
Canonical SMILES: C(CO)C(F)(F)F
InChI: InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2
InChIKey of 3,3,3-Trifluoro-1-propanol (CAS NO.2240-88-2): HDBGBTNNPRCVND-UHFFFAOYSA-N
Hazard Codes: F
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
RIDADR: 1987
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III
3,3,3-Trifluoro-1-propanol (CAS NO.2240-88-2) is also named as 1-propanol, 3,3,3-trifluoro- ; 3,3,3-Trifluoropropan-1-ol ; alpha-Fluoro-omega-(2-hydroxyethyl)poly(difluoromethylene) ; 1H,1H,2H,2H-Perfluoroalkyl-1-thiols ; 2-(Perfluoroalkyl)ethanol ; 3,3,3-Trifluoropropan-1-ol 97% ; 3,3,3-Trifluoropropanol .