CAS No.75-89-8,2,2,2-Trifluoroethanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	75-89-8
Name:	2,2,2-Trifluoroethanol
Article Data:	132

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

Synthetic route

: 367-64-6
n-butyl trifluoroacetate

: 75-89-8
2,2,2-trifluoroethanol

Conditions

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

: 431-47-0
trifluoroacetic acid-methyl ester

: 75-89-8
2,2,2-trifluoroethanol

Conditions

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

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

: 351-70-2
benzyl trifluoroacetate

A: 75-89-8
2,2,2-trifluoroethanol

B: 100-51-6
benzyl alcohol

Conditions

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

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

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

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;

: 75-88-7
1,1,1-trifluoro-2-chloroethane

: 75-89-8
2,2,2-trifluoroethanol

Conditions

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

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;

: 383-67-5
allyl trifluoroacetate

A: 75-89-8
2,2,2-trifluoroethanol

B: 107-18-6
allyl alcohol

Conditions

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.

Raw Materials

63325-06-4

55419-66-4

354-32-5

461-25-6

1199-86-6

67-56-1

367-64-6

753-90-2

Downstream Products

4630-62-0

14990-01-3

931-91-9

35480-52-5

110-83-8

323-09-1

460-43-5

611-97-2

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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.