Products Categories
| CAS No.: | 75-89-8 |
|---|---|
| Name: | 2,2,2-Trifluoroethanol |
| Molecular Structure: | |
|
|
|
| Formula: | C2H3F3O |
| Molecular Weight: | 100.04 |
| Synonyms: | Trifluoroethanol;2,2,2-Trifluoroethanol, 99.8%;beta.,.beta.,.beta.-Trifluoroethyl alcohol;Fluorinol 85;2,2,2-Trifluoroethyl alcohol;beta,beta,beta-Trifluoroethyl alcohol;2,2,2,-Trifluoroethanol(TFE);2,2,2-Trifluoroethanol; TFE;2,2,2-Trifluoro Ethanol;Trifluoro Ethanol;Ethanol, 2,2,2-trifluoro-;Trifluoro Ethanol(L);Ethanol, 2,2, 2-trifluoro-; |
| EINECS: | 200-913-6 |
| Density: | 1.325 g/cm3 |
| Melting Point: | -44 °C(lit.) |
| Boiling Point: | 74 °C at 760 mmHg |
| Flash Point: | 29.4 °C |
| Solubility: | Misible soluble with water |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 T, F, Xn
|
| Risk Codes: | 10-20/21/22-37/38-41-62-38-36/37/38 |
| Safety: | 26-36-39-45-36/37/39-16 |
| Transport Information: | UN 1986 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 0.54100 |
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| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; potassium tert-butylate; hydrogen In 1,4-dioxane at 40℃; under 7500.75 Torr; for 16h; Time; Concentration; Pressure; Temperature; Glovebox; Inert atmosphere; | 99% |
| With lithium aluminium tetrahydride; diethyl ether |
| Conditions | Yield |
|---|---|
| With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate In methanol at 60℃; under 22502.3 Torr; for 2h; Pressure; Temperature; Time; Concentration; Reagent/catalyst; Autoclave; | 99% |
| With hydrogen; phosphan | |
| With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate In methanol at 40℃; under 19001.3 Torr; for 24h; Autoclave; Inert atmosphere; | 98 %Spectr. |
| With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate In methanol at 40℃; under 18751.9 Torr; for 24h; Catalytic behavior; Reagent/catalyst; Autoclave; | 92 %Spectr. |
| With C46H43N7OPRu(1+)*BF4(1-); potassium tert-butylate; hydrogen In 1,4-dioxane at 100℃; under 37503.8 Torr; for 2h; Inert atmosphere; Autoclave; | 100 %Spectr. |
- 117068-31-2
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-n-decyl)trifluoroacetate
A
- 75-89-8
2,2,2-trifluoroethanol
B
- 678-39-7
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A 99% B n/a |
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A 99% B n/a |
| With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen In toluene at 90℃; under 52505.3 Torr; for 17h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; Glovebox; | |
| With C21H35BrMnN2O2P; hydrogen; potassium hydride; 1,3,5-trimethyl-benzene In toluene at 100℃; under 15001.5 Torr; for 28h; Autoclave; Inert atmosphere; | A 78 %Spectr. B 99 %Spectr. |
| With C21H35BrMnN2O2P; hydrogen; potassium hydride In toluene at 100℃; under 15001.5 Torr; for 28h; | A 78 %Spectr. B 99 %Spectr. |
- 1524-14-7
4-methylbenzyl trifluoroacetate
A
- 75-89-8
2,2,2-trifluoroethanol
B
- 589-18-4
4-Methylbenzyl alcohol
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A 99% B n/a |
- 681035-98-3
4-(trifluoromethyl)benzyl trifluoroacetate
A
- 349-95-1
4-(trifluoromethyl)benzylic alcohol
B
- 75-89-8
2,2,2-trifluoroethanol
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A n/a B 99% |
- 139058-95-0
4-fluorobenzyl trifluoroacetate
A
- 459-56-3
4-fluorobenzylic alcohol
B
- 75-89-8
2,2,2-trifluoroethanol
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A n/a B 97% |
| With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; triethylamine In toluene at 90℃; under 52505.3 Torr; for 17h; Inert atmosphere; Glovebox; |
| Conditions | Yield |
|---|---|
| With potassium γ-hydroxybutyrate In 4-butanolide at 200℃; under 11251.1 Torr; for 6h; | 96% |
| With 4-butanolide; potassium hydroxide at 200℃; under 11251.1 Torr; for 6h; | 68% |
| With potassium acetate; ethylene glycol; acetic acid |
- 164071-20-9
cyclohexylmethyl trifluoroacetate
A
- 75-89-8
2,2,2-trifluoroethanol
B
- 100-49-2
cyclohexylmethyl alcohol
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 48h; Glovebox; Inert atmosphere; | A 95% B n/a |
| With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen In toluene at 110℃; under 52505.3 Torr; for 17h; Catalytic behavior; Solvent; Temperature; Inert atmosphere; Glovebox; |
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A 95% B n/a |
| With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; triethylamine In toluene at 90℃; under 52505.3 Torr; for 17h; Inert atmosphere; Glovebox; | |
| With C21H35BrMnN2O2P; hydrogen; potassium hydride; 1,3,5-trimethyl-benzene In toluene at 100℃; under 15001.5 Torr; for 60h; Autoclave; Inert atmosphere; | A 97 %Spectr. B 96 %Spectr. |
| With C21H35BrMnN2O2P; hydrogen; potassium hydride In toluene at 100℃; under 15001.5 Torr; for 60h; | A 97 %Spectr. B 96 %Spectr. |
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Chemistry
Molecular Structure of 2,2,2-Trifluoroethanol (CAS NO.75-89-8):
Molecular formula: C2H3F3O
Molar weight: 100.04
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 20.23 Å2
Index of Refraction: 1.281
Molar Refractivity: 13.3 cm3
Molar Volume: 75.4 cm3
Surface Tension: 16.5 dyne/cm
Density: 1.325 g/cm3
Flash Point: 29.4 °C
Enthalpy of Vaporization: 36.76 kJ/mol
Boiling Point: 74 °C at 760 mmHg
Vapour Pressure: 77.3 mmHg at 25°C
EINECS: 200-913-6
Melting point: -44 °C(lit.)
Merck: 9682
BRN: 1733203
Storage temp: Store at RT
Appearance: Colorless liquid
InChI
InChI=1/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
Smiles
C(CO)(F)(F)F
Stability: Stable. Flammable - note wide explosion limits. Moisture sensitive. Incompatible with strong oxidizing agents, strong acids, sodium, potassium
Product Categories: Organics; API intermediates; Other Reagents; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; Chemistry
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969. |
| mouse | LC50 | inhalation | 2900mg/m3 (2900mg/m3) | BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)" BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(10), Pg. 29, 1969. |
| mouse | LD50 | intraperitoneal | 158mg/kg (158mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968. |
| mouse | LD50 | intravenous | 250mg/kg (250mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968. |
| mouse | LD50 | oral | 366mg/kg (366mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969. |
| rabbit | LD50 | skin | 390uL/kg (0.39mL/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0555986, |
| rat | LC50 | inhalation | 470ppm/6H (470ppm) | BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0555986, |
| rat | LD50 | intraperitoneal | 210mg/kg (210mg/kg) | Toxicology and Applied Pharmacology. Vol. 71, Pg. 84, 1983. | |
| rat | LD50 | oral | 240mg/kg (240mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 607, 1969. | |
| rat | LD50 | skin | 1680mg/kg (1680mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 607, 1969. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by inhalation and skin contact. Experimental reproductive effects. A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of F−.
Hazard Codes: 
Xn,
T,
F
Hazard Note: Flammable/Toxic
The Risk Statements information of 2,2,2-Trifluoroethanol (CAS NO.75-89-8):
10: Flammable
41: Risk of serious damage to eyes
62: Possible risk of impaired fertility
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
37/38: Irritating to respiratory system and skin
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 2,2,2-Trifluoroethanol (CAS NO.75-89-8):
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1986 3/PG 3
WGK Germany: 1
RTECS: KM5250000
Hazard Note: Flammable/Toxic
HazardClass: 3
PackingGroup: III
HS Code: 29055910
Specification
2,2,2-Trifluoroethanol , with CAS number of 75-89-8, can be called Trifluoroethanol ; 2,2,2-Trifluoroethanol, 99.8% ; 2,2,2-Trifluoroethyl alcohol ; beta,beta,beta-Trifluoroethyl alcohol ; Trifluoro Ethanol ; Ethanol, 2,2,2-trifluoro- ; Trifluoro Ethanol(L) ; Ethanol, 2,2, 2-trifluoro- . It is a colorless liquid. 2,2,2-Trifluoroethanol (CAS NO.75-89-8) is used as a solvent in organic chemistry. Oxidations of sulfur compounds using hydrogen peroxide are effectively conducted in TFE. In biology TFE, it is used as a co-solvent in protein folding studies with NMR spectroscopy, this solvent can effectively solubilize both peptides and proteins.