3,3,3-Trifluoropropanol supplier

Name
3,3,3-Trifluoro-1-propanol
EINECS -0
CAS No. 2240-88-2
Article Data13
CAS DataBase
Density 1.24 g/cm³
Solubility Fully miscible in water.
Melting Point
Formula C₃H₅F₃O
Boiling Point 86.5 ºC at 760 mmHg
Molecular Weight 114.067
Flash Point 47.1 ºC
Transport Information UN1993
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols F
Synonyms 2-(Trifluoromethyl)ethanol;
PSA 20.23000
LogP 0.93110

Synthetic route

: 407-63-6
1-acetoxy-3,3,3-trifluoropropane

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With potassium hydroxide; benzyl tri-n-butylammonium bromide at 75 - 80℃; for 0.333333h;	96%

: 311-86-4
2-bromo-1,1,1-trifluoropropan-3-ol

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With hydrogen; potassium carbonate In methanol at 80℃; under 37503.8 Torr; for 3h; Reagent/catalyst; Pressure; Temperature; Autoclave;	95%

: 677-21-4
1,1,1-trifluoropropylene

A: 374-01-6
1,1,1-trifluoroisopropanol

B: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

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;

: 1072-53-3
ethyleneglycol sulfate

: 2314-97-8
iodotrifluoromethane

A: 624-76-0
Iodoethanol

B: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With Tetrakis(dimethylamino)ethylen In tetrahydrofuran at -20 - 20℃;	A 55% B 45%

...Expand

: 75-21-8
oxirane

: 334-98-5
(trifluoro methyl) magnesiumiodide

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With diethyl ether

: 460-35-5
3-chloro-1,1,1-trifluoropropane

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With diethyl ether; oxygen; magnesium

: chloro-(2,2,2-trifluoro-1-hydroxymethyl-ethyl)-mercury

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With potassium hydroxide; sodium tetrahydroborate

: 677-21-4
1,1,1-trifluoropropylene

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

A: 374-01-6
1,1,1-trifluoroisopropanol

B: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

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.;

...Expand

: 677-21-4
1,1,1-trifluoropropylene

: 274-07-7
benzo[1,3,2]dioxaborole

A: 374-01-6
1,1,1-trifluoroisopropanol

B: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

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.;

...Expand

: 406-87-1
4,4,4-trifluorobutanal

A: 64-18-6
formic acid

B: 2240-88-2
3,3,3-Trifluoropropanol

C: 460-40-2
3,3,3-trifluoropropanal

Conditions

Conditions	Yield
With oxygen Quantum yield; Pressure; Pulsed laser photolysis; Gas phase;

...Expand

: 1-benzyloxy-3,3,3-trifluoropropane

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In tert-butyl methyl ether at 80℃; for 4h; Solvent; Temperature; Autoclave;	157 g

: 1-para-methylbenzyloxy-3,3,3-trifluoropropane

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In tert-butyl methyl ether at 80℃; for 4h; Autoclave;	96 g

: 1-para-methoxybenzyloxy-3,3,3-trifluoropropane

: 2240-88-2
3,3,3-Trifluoropropanol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In tert-butyl methyl ether at 80℃; for 4h; Autoclave;	57 g

: 2240-88-2
3,3,3-Trifluoropropanol

: C34H38Br2N4O4(2+)*2Br(1-)

: C46H50F12N4O6

Conditions

Conditions	Yield
for 16h;	100%

: 2240-88-2
3,3,3-Trifluoropropanol

: 7726-95-6
bromine

: trimethylamine carboxyborane

: 770733-88-5
(CH3)3NBBr2COOCH2CF3

Conditions

Conditions	Yield
In further solvent(s) byproducts: HBr, H2O; (N2); soln. of Br2 (2.5 equiv.) in trifluoroethanol was added dropwise to soln. of Me3N*BH2COOH in trifluoroethanol at 0°C; mixt. was stirred at 0°C for 4 h; solvent removed (vac.);	98%

...Expand

: 5,10,15,20-tetrakis[2-fluoro-5-(chlorosulfonyl)phenyl]porphyrin

: 2240-88-2
3,3,3-Trifluoropropanol

: 5,10,15,20-tetrakis[2-fluoro-5-(3,3,3-trifluoropropyloxy)sulfonylphenyl]porphyrin

Conditions

Conditions	Yield
In tetrahydrofuran; water at 5 - 20℃;	96%

: 2240-88-2
3,3,3-Trifluoropropanol

: 32315-10-9
bis(trichloromethyl) carbonate

: di(3,3,3-trifluoropropyl)carbonate

Conditions

Conditions	Yield
With triethylamine at 80℃; for 10h;	95.1%

: tert-butyl 4-chloro-2-cyclopropyl-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

: 2240-88-2
3,3,3-Trifluoropropanol

: 884484-65-5
tert-butyl 2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropanol With potassium tert-butylate In 1,4-dioxane at 20℃; for 0.25h; Stage #2: tert-butyl 4-chloro-2-cyclopropyl-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate In 1,4-dioxane at 50℃;	94%

: 119-65-3
isoquinoline

: 2240-88-2
3,3,3-Trifluoropropanol

: C12H10F3N

Conditions

Conditions	Yield
With Ethyl 2-mercaptopropionate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; toluene-4-sulfonic acid In dimethyl sulfoxide at 23℃; UV-irradiation;	93%

: 2240-88-2
3,3,3-Trifluoropropanol

: 60988-78-5
α-trifluoromethylbenzyl dichlorophosphate

: 125657-23-0
Phosphoric acid 2,2,2-trifluoro-1-phenyl-ethyl ester bis-(3,3,3-trifluoro-propyl) ester

Conditions

Conditions	Yield
calcium chloride at 120℃; for 0.5h;	91%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-((2,4-dinitrophenyl)sulfonamide)ethyl methacrylate

: 2-(2,4-dinitro-N-(3,3,3-trifluoropropyl)phenylsulfonamido)ethyl methacrylate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 40℃; for 10h; Catalytic behavior; Temperature; Cooling with ice;	91%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-(3-ethoxy-2-fluoro-4-hydroxyphenyl)acetic acid

: 1,1,1-trifluoropropan-2-yl 2-(3-ethoxy-2-fluoro-4-hydroxyphenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Reflux;	89%

: 2240-88-2
3,3,3-Trifluoropropanol

: 766-77-8
Dimethylphenylsilane

: dimethyl(phenyl)(3,3,3-trifluoropropoxy)silane

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; N,N-dimethyl-formamide at 60℃; for 24h; Sealed tube;	89%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-(3-fluoro-4-hydroxy-5-methoxyphenyl)acetic acid

: 1,1,1-trifluoropropan-2-yl 2-(3-fluoro-4-hydroxy-5-methoxyphenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Reflux;	87%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)acetic acid

: 1,1,1-trifluoropropan-2-yl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Reflux;	87%

: 2240-88-2
3,3,3-Trifluoropropanol

: 87959-49-7
1-(buta-2,3-dien-2-yl)-4-methoxybenzene

: 1,1,1-trifluoro-4-(4-methoxyphenyl)-4-methylhex-5-en-3-ol

Conditions

Conditions	Yield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); 1,1'-bis(diisopropylphosphino)ferrocene In tetrahydrofuran at 75℃; for 48h; Sealed tube; Inert atmosphere; diastereoselective reaction;	86%

: 2240-88-2
3,3,3-Trifluoropropanol

: 5,10,15,20-tetrakis[2,6-difluoro-3-(chlorosulfonyl)phenyl]porphyrin

: 5,10,15,20-tetrakis[2,6-difluoro-3(3,3,3-trifluoropropyloxy)sulfonylphenyl]porphyrin

Conditions

Conditions	Yield
In tetrahydrofuran; water at 5 - 20℃;	85%

: 2240-88-2
3,3,3-Trifluoropropanol

: 1-(buta-2,3-dien-2-yl)-3,5-dichlorobenzene

: 4-(3,5-dichlorophenyl)-1,1,1-trifluoro-4-methylhex-5-en-3-ol

Conditions

Conditions	Yield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); 1,1'-bis(diisopropylphosphino)ferrocene In tetrahydrofuran at 75℃; for 48h; Sealed tube; Inert atmosphere; diastereoselective reaction;	85%

: 2-bromo-6-fluoro-4-methylpyridine

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-bromo-4-methyl-6-(3,3,3-trifluoropropoxy)pyridine

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropanol With sodium hydride In 1,4-dioxane; mineral oil at 10 - 20℃; for 0.5h; Stage #2: 2-bromo-6-fluoro-4-methylpyridine In 1,4-dioxane; mineral oil at 20℃; for 2h;	85%

: 2240-88-2
3,3,3-Trifluoropropanol

: 140146-47-0
2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetic acid

: 1,1,1-trifluoropropan-2-yl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Reflux;	84%

: 2240-88-2
3,3,3-Trifluoropropanol

: tris(trifluoropropyl)phosphite

Conditions

Conditions	Yield
With hydrogenchloride; phosphorus trichloride at 50 - 70℃; for 2.5h; Inert atmosphere;	83.24%

: 2240-88-2
3,3,3-Trifluoropropanol

: 124-63-0
methanesulfonyl chloride

: 911116-16-0
3,3,3-trifluoropropyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 3h;	83%
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	58.2%

: 2240-88-2
3,3,3-Trifluoropropanol

: 57224-51-8
N-benzoyl-2-methylalanine

: 2-methyl-2-(2-(3,3,3-trifluoropropoxy)benzamido)propanoic acid

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; palladium diacetate In toluene at 20℃; for 12h; Temperature; Inert atmosphere; Sealed tube; Green chemistry; regioselective reaction;	83%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-(5-ethoxy-2-fluoro-4-hydroxyphenyl)acetic acid

: 1,1,1-trifluoropropan-2-yl 2-(5-ethoxy-2-fluoro-4-hydroxyphenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Reflux;	82%

: 2240-88-2
3,3,3-Trifluoropropanol

: 18542-98-8
4-fluoro-N,N-dimethyl-3-nitroaniline

: N,N-dimethyl-3-nitro-4-(3,3,3-trifluoropropoxy)aniline

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropanol With sodium hydride In tetrahydrofuran at 20 - 24℃; for 0.333333h; Stage #2: 4-fluoro-N,N-dimethyl-3-nitroaniline In tetrahydrofuran for 1h;	82%

: 2240-88-2
3,3,3-Trifluoropropanol

: 49608-01-7
6-chloro-3-pyridinecarboxylic acid ethyl ester

: 1072855-39-0
6-(3,3,3-trifluoropropoxy)nicotinic acid

Conditions

Conditions	Yield
Stage #1: 3,3,3-Trifluoropropanol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.0833333h; Stage #2: 6-chloro-3-pyridinecarboxylic acid ethyl ester In tetrahydrofuran at 20℃; for 2h; Stage #3: With hydrogenchloride; lithium hydroxide; water more than 3 stages;	81%

: 2240-88-2
3,3,3-Trifluoropropanol

: 2-(3-ethoxy-5-fluoro-4-hydroxyphenyl)acetic acid

: 1,1,1-trifluoropropan-2-yl 2-(3-ethoxy-5-fluoro-4-hydroxyphenyl)acetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Reflux;	81%

: 2240-88-2
3,3,3-Trifluoropropanol

: 98-88-4
benzoyl chloride

: 3,3,3-trifluoropropyl benzoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 12h;	80%

: 2240-88-2
3,3,3-Trifluoropropanol

A: 460-36-6
1,1,1,3-tetrafluoropropane

B: 677-21-4
1,1,1-trifluoropropylene

Conditions

Conditions	Yield
With cesium fluoride; sulphur hexafluoride; 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene In dichloromethane-d2 at 20℃; for 0.5h; Inert atmosphere; UV-irradiation; Overall yield = 38%;	A 79% B n/a

: 264206-68-0
3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione

: 2240-88-2
3,3,3-Trifluoropropanol

: 3-[(4-methoxyphenyl)amino]-4-phenyl-1-(3,3,3-trifluoropropyl)-1H-pyrrole-2,5-dione

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 130℃; for 0.1h; Microwave irradiation;	77%

: 2240-88-2
3,3,3-Trifluoropropanol

: 22433-39-2
1-methyl-1-phenylallene

: 1,1,1-trifluoro-4-methyl-4-phenylhex-5-en-3-ol

Conditions

Conditions	Yield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); 1,1'-bis(diisopropylphosphino)ferrocene In tetrahydrofuran at 75℃; for 48h; Sealed tube; Inert atmosphere; diastereoselective reaction;	77%

3,3,3-Trifluoropropanol Chemical Properties

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

3,3,3-Trifluoropropanol Safety Profile

Hazard Codes: Flammable 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-Trifluoropropanol Specification

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 .

Product Name

3,3,3-Trifluoro-1-propanol

Synthetic route

3,3,3-Trifluoropropanol Chemical Properties

3,3,3-Trifluoropropanol Safety Profile

3,3,3-Trifluoropropanol Specification

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