Product Name

  • Name

    Trifluoromethane

  • EINECS 200-872-4
  • CAS No. 75-46-7
  • Article Data434
  • CAS DataBase
  • Density 1.133 g/cm3
  • Solubility Slightly soluble in water
  • Melting Point -160 °C(lit.)
  • Formula CHF3
  • Boiling Point −84°C(lit.)
  • Molecular Weight 70.0141
  • Flash Point
  • Transport Information UN 1984/2599
  • Appearance colourless gas
  • Safety 38
  • Risk Codes
  • Molecular Structure Molecular Structure of 75-46-7 (Trifluoromethane)
  • Hazard Symbols FlammableF
  • Synonyms Arcton 1;Carbon trifluoride;Ecolo Ace 23;FC 23;FC 23 (fluorocarbon);FE 13;Fluoroform;Fluoryl;Freon 23;Fron 23;Genetron 23;HCFC 23;HFC 23;Methyltrifluoride;R 23;R 23 (halocarbon);Trifluoromethane (CHF3);
  • PSA 0.00000
  • LogP 1.17850

Synthetic route

Dimethyl-trifluormethyl-wismut
677-31-6

Dimethyl-trifluormethyl-wismut

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide In water in hot 5n NaOH solution;100%
In water
trifluoromethyldiiodophosphine
421-59-0

trifluoromethyldiiodophosphine

A

sodium phosphite

sodium phosphite

B

trifluoromethan
75-46-7

trifluoromethan

C

sodium iodide
7681-82-5

sodium iodide

Conditions
ConditionsYield
With NaOH In water 20°C (24 h); hydrolysis;A n/a
B 99.5%
C 100%
Methyl-bis-trifluormethyl-wismut
684-13-9

Methyl-bis-trifluormethyl-wismut

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide In water in hot 5n NaOH solution;100%
In water
Diethyl-trifluormethyl-wismut
1998-70-5

Diethyl-trifluormethyl-wismut

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide In water in 5n NaOH solution;100%
In water
Ethyl-bis-trifluormethyl-wismut
1683-91-6

Ethyl-bis-trifluormethyl-wismut

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide In water in hot 5n NaOH;100%
In water
hydroxide

hydroxide

Trifluoro-methanethiosulfonic acid S-trifluoromethyl ester
358-15-6

Trifluoro-methanethiosulfonic acid S-trifluoromethyl ester

A

trifluoromethan
75-46-7

trifluoromethan

B

fluoride

fluoride

C

sulfide ion

sulfide ion

Conditions
ConditionsYield
at 95°C, hydrolysis;A 60%
B 39%
C 99%
Bis(trifluormethyl)-monothiophosphinigsaeure
1486-19-7

Bis(trifluormethyl)-monothiophosphinigsaeure

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With NaOH In not given hydrolysis at 60-70°C (3 d);99%
Bis(trifluormethyl)-cyanophosphan
431-97-0

Bis(trifluormethyl)-cyanophosphan

sodium hydroxide
1310-73-2

sodium hydroxide

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
In water hydrolysis with 10 % aq. NaOH;;99%
dimethyltrifluoromethylarsenic dichloride
75355-40-7

dimethyltrifluoromethylarsenic dichloride

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide for 4h; Ambient temperature; hydrolysis in sealed tube;98.8%
glycine
56-40-6

glycine

methyl (chloromethyl)(trifluoromethyl)phosphinate
111727-31-2

methyl (chloromethyl)(trifluoromethyl)phosphinate

A

trifluoromethan
75-46-7

trifluoromethan

B

N-(phosphonemethyl)glycine
1071-83-6

N-(phosphonemethyl)glycine

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 20℃; Rate constant;A 98%
B 49%
tristrifluoromethylarsine
420-42-8

tristrifluoromethylarsine

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
byproducts: H2; 330°C (40 h); also formation of gray mirror;98%
With NaOH In not given hydrolysis at 105°C (15 h);14.5%
tris(trifluoromethyl)phosphine
432-04-2

tris(trifluoromethyl)phosphine

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With NaOH In water 48 h, 20°C;98%
With H2O hydrolysis at 200°C, 12 h;46%
ammonolysis at 20°C, 48 h;37%
With H2O In water hydrolysis at 200°C;;
ammonia
7664-41-7

ammonia

A

antimony nitride

antimony nitride

B

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
24 h;A n/a
B 98%
24 h;A n/a
B 98%
1,1,1,2-tetrafluoroethane
811-97-2

1,1,1,2-tetrafluoroethane

A

1,1,1,2,2-pentafluoroethane
354-33-6

1,1,1,2,2-pentafluoroethane

B

Difluoromethane
75-10-5

Difluoromethane

C

trifluoromethan
75-46-7

trifluoromethan

D

Hexafluoroethane
76-16-4

Hexafluoroethane

Conditions
ConditionsYield
With fluorine at 200 - 250℃; Product distribution; Further Variations:; Reagents;A 1.1%
B 0.9%
C 0.4%
D 97.6%
bis(trifluoromethyl)aminoxybis(trifluoromethyl)stibine

bis(trifluoromethyl)aminoxybis(trifluoromethyl)stibine

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide In sodium hydroxide hydrolysis with20 % NaOH soln.;97.3%
With sodium hydroxide with 20 % NaOH;
With NaOH with 20 % NaOH;
(trifluoro methyl) trifluoro germane
1512-15-8

(trifluoro methyl) trifluoro germane

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With water reaction in hot water;;97%
dichloromethane
75-09-2

dichloromethane

A

methylene chloride
74-87-3

methylene chloride

B

Difluoromethane
75-10-5

Difluoromethane

C

R32
593-70-4

R32

D

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With hydrogen fluoride; antimony(III) fluoride; antimony pentafluoride at 5 - 100℃; under 12504.7 Torr;A n/a
B 96.9%
C 3.08%
D n/a
antimony pentafluorideA n/a
B 96.4%
C 3.56%
D n/a
methylbistrifluoromethylarsenic dichloride
75368-11-5

methylbistrifluoromethylarsenic dichloride

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With sodium hydroxide at 125℃; for 20h; hydrolysis in sealed tube;93%
perfluormethylgermanium iodide
1512-08-9

perfluormethylgermanium iodide

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With water reaction in water in presence of Ag2O;;92%
With water reaction in hot water;;89%
With water reaction in cold water;;2%
S-difluoromethyl-S-mesityl-S-phenylsulfonium tetra(3,5-di(trifluoromethyl)phenyl)borate

S-difluoromethyl-S-mesityl-S-phenylsulfonium tetra(3,5-di(trifluoromethyl)phenyl)borate

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In [D3]acetonitrile Reagent/catalyst; Molecular sieve;92%
With tetrabutyl ammonium fluoride In acetonitrile at 20℃; Solvent; Reagent/catalyst; Molecular sieve; Sealed tube;89%
tris(trifluoromethyl)stibane
432-05-3

tris(trifluoromethyl)stibane

dimethyl amine
124-40-3

dimethyl amine

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
20°C (28 d);91%
20°C (28 d);91%
20°C, 28 d;>99
trifluoromethyltrimethylsilane
335-06-8

trifluoromethyltrimethylsilane

A

trifluoromethan
75-46-7

trifluoromethan

B

silicon tetrafluoride
7783-61-1

silicon tetrafluoride

Conditions
ConditionsYield
With sodium hydroxide; water hydrolysis;;A 91%
B n/a
With NaOH; H2O hydrolysis;;A 91%
B n/a
trifluoromethyltrimethylsilane
335-06-8

trifluoromethyltrimethylsilane

A

trifluoromethan
75-46-7

trifluoromethan

B

(trifluoromethyl)silane
10112-11-5

(trifluoromethyl)silane

Conditions
ConditionsYield
With lithium aluminium tetrahydride In dibutyl ether at -78℃; for 0.25h;A n/a
B 90%
tris(trifluoromethyl)stibane
432-05-3

tris(trifluoromethyl)stibane

A

trifluoromethan
75-46-7

trifluoromethan

B

fluoride

fluoride

Conditions
ConditionsYield
With HCl In not given 100°C; concd. HCl;A 90%
B n/a
tetrakis-trifluoromethyl-diarsane
360-56-5

tetrakis-trifluoromethyl-diarsane

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With NH3 20°C, 28 d in Carius tube;89%
bis(trifluoromethyl)diethylaminophosphane
55865-38-8

bis(trifluoromethyl)diethylaminophosphane

A

trifluoromethan
75-46-7

trifluoromethan

B

bis(trifluoromethyl)phosphinous acid
359-65-9

bis(trifluoromethyl)phosphinous acid

Conditions
ConditionsYield
With toluene-4-sulfonic acid In various solvent(s) at 20℃; for 12h;A n/a
B 88%
bis(trifluoromethyl)phosphine
460-96-8

bis(trifluoromethyl)phosphine

A

Poly(trifluoromethylphosphane)
181234-88-8

Poly(trifluoromethylphosphane)

B

trifluoromethan
75-46-7

trifluoromethan

C

Tetrakis(trifluoromethyl)cyclotetraphosphane
393-02-2

Tetrakis(trifluoromethyl)cyclotetraphosphane

D

pentakis-trifluoromethyl-cyclopentaphosphane
745-23-3, 54548-49-1

pentakis-trifluoromethyl-cyclopentaphosphane

Conditions
ConditionsYield
400°C furnace temp., 5 h;A n/a
B 87%
C n/a
D n/a
400°C furnace temp., 5 h;A n/a
B 87%
C n/a
D n/a
400°C furnace temp., 4 h;A n/a
B 67%
C n/a
D n/a
tris(trifluoromethyl)arsine
432-02-0

tris(trifluoromethyl)arsine

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With H2O 300°C, 48 h;87%
With NaOH In not given hydrolysis with 0.05 molar NaOH soln.; 20°C, 44 h shaking;87%
In not given hydrolysis with buffer soln.:80% glycine and NaCl mixture, 20% 0.1 molar NaOH (pH=9.2);15%
Caesium-trans-tris(trifluormethyl)-trifluorphosphat
18128-79-5

Caesium-trans-tris(trifluormethyl)-trifluorphosphat

trifluoromethan
75-46-7

trifluoromethan

Conditions
ConditionsYield
With acid In not given87%
(trifluoro methyl) difluoro iodo silane
27668-68-4

(trifluoro methyl) difluoro iodo silane

A

trifluoromethan
75-46-7

trifluoromethan

B

(trifluoromethyl)silane
10112-11-5

(trifluoromethyl)silane

Conditions
ConditionsYield
With lithium aluminium tetrahydride In dibutyl ether at -78℃; for 0.25h;A n/a
B 85%
benzophenone
119-61-9

benzophenone

trifluoromethan
75-46-7

trifluoromethan

1,1-diphenyl-2,2,2-trifluoroethanol
379-18-0

1,1-diphenyl-2,2,2-trifluoroethanol

Conditions
ConditionsYield
With phosphazene base-P4-tert-butyl In tetrahydrofuran; hexane at -40℃; for 3h; Time; Reagent/catalyst; Inert atmosphere;99%
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; under 750.075 Torr; for 0.000138889h; Solvent; Pressure; Concentration; Flow reactor;98%
With potassium tert-butylate at 20℃; for 6h; Schlenk technique; Cooling with liquid nitrogen;96%
trifluoromethan
75-46-7

trifluoromethan

bis(p-methoxyphenyl)methanone
90-96-0

bis(p-methoxyphenyl)methanone

4,4'-dimethoxy-α-phenyl-α-(trifluoromethyl)benzenemethanol
379-21-5

4,4'-dimethoxy-α-phenyl-α-(trifluoromethyl)benzenemethanol

Conditions
ConditionsYield
Stage #1: trifluoromethan; bis(p-methoxyphenyl)methanone With tris(trimethylsilyl)amine; phosphazene base-P4-tert-butyl In tetrahydrofuran at 20℃; for 14h; Schlenk technique;
Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h; Schlenk technique;
99%
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; under 750.075 Torr; for 0.000138889h; Flow reactor;74%
trifluoromethan
75-46-7

trifluoromethan

(S)-2-methyl-propane-2-sulfinic acid 1-(4-trifluoromethyl-phenyl)-meth-(E)-ylideneamide
851513-48-9

(S)-2-methyl-propane-2-sulfinic acid 1-(4-trifluoromethyl-phenyl)-meth-(E)-ylideneamide

(S)-2-methyl-N-((R)-2,2,2-trifluoro-1-(4-(trifluoromethyl)phenyl)ethyl)propane-2-sulfinamide

(S)-2-methyl-N-((R)-2,2,2-trifluoro-1-(4-(trifluoromethyl)phenyl)ethyl)propane-2-sulfinamide

Conditions
ConditionsYield
Stage #1: trifluoromethan; (S)-2-methyl-propane-2-sulfinic acid 1-(4-trifluoromethyl-phenyl)-meth-(E)-ylideneamide In toluene at -78℃; for 0.25h; Glovebox; Inert atmosphere;
Stage #2: With phosphazene base-P4-tert-butyl In hexane at -78℃;
99%
trifluoromethan
75-46-7

trifluoromethan

cyclohexanone
108-94-1

cyclohexanone

1-(trifluoromethyl)-1-cyclohexanol
80768-55-4

1-(trifluoromethyl)-1-cyclohexanol

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 6h; Time; Inert atmosphere;99%
trifluoromethan
75-46-7

trifluoromethan

(2-chlorophenyl)(phenyl)methanone
5162-03-8

(2-chlorophenyl)(phenyl)methanone

2,2,2-trifluoro-1-(2-chlorophenyl)-1-phenylethanol
730-63-2

2,2,2-trifluoro-1-(2-chlorophenyl)-1-phenylethanol

Conditions
ConditionsYield
Stage #1: trifluoromethan; (2-chlorophenyl)(phenyl)methanone With tris(trimethylsilyl)amine; phosphazene base-P4-tert-butyl In tetrahydrofuran at 20℃; for 10h; Schlenk technique;
Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h; Schlenk technique;
98%
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; under 750.075 Torr; for 0.000138889h; Flow reactor;74%
trifluoromethan
75-46-7

trifluoromethan

deuterofluoroform
558-22-5

deuterofluoroform

Conditions
ConditionsYield
With deuteriated sodium hydroxide; water-d2 at 105℃; for 7h;97.6%
With 4,4'-difluorobiphenyl; cis-[(1,3-bis(diphenylphosphino)propane)Pd(Ph)(OH)]; water-d2 In N,N-dimethyl-formamide at 23℃; for 24h; Inert atmosphere; Glovebox;8%
With water-d2; potassium carbonate at 120℃;
With water at 20℃; Thermodynamic data; Irradiation; H/D separation factors, other temperatures; ΔH;
trifluoromethan
75-46-7

trifluoromethan

(S)-2-methyl-N-(4-methylbenzylidene)propane-2-sulfinamide

(S)-2-methyl-N-(4-methylbenzylidene)propane-2-sulfinamide

(S)-2-methyl-N-((R)-2,2,2-trifluoro-1-(p-tolyl)ethyl)propane-2-sulfinamide

(S)-2-methyl-N-((R)-2,2,2-trifluoro-1-(p-tolyl)ethyl)propane-2-sulfinamide

Conditions
ConditionsYield
With phosphazene base-P4-tert-butyl In hexane; toluene at -78℃; Inert atmosphere; Glovebox; diastereoselective reaction;96%
trifluoromethan
75-46-7

trifluoromethan

acetophenone
98-86-2

acetophenone

1,1,1-trifluoro-2-phenylpropan-2-ol
426-54-0

1,1,1-trifluoro-2-phenylpropan-2-ol

Conditions
ConditionsYield
With phosphazene base-P4-tert-butyl In tetrahydrofuran; hexane at 40℃; for 3h; Inert atmosphere;95%
With tris(trimethylsilyl)amine; tetramethylammonium fluoride In tetrahydrofuran; N,N-dimethyl-formamide at -10 - 20℃; for 6h;26%
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 6h; Time; Inert atmosphere;1%
With tetrabutylammonium (2-pyrrolidonide); 1,1,1,3,3,3-hexamethyl-disilazane 1.) DMF, -10 deg C, 5 h; Yield given. Multistep reaction;
trifluoromethan
75-46-7

trifluoromethan

Diphenylacetonitrile
86-29-3

Diphenylacetonitrile

α-difluoromethyldiphenyl acetonitrile
1427-12-9

α-difluoromethyldiphenyl acetonitrile

Conditions
ConditionsYield
Stage #1: Diphenylacetonitrile With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere;
Stage #2: trifluoromethan In tetrahydrofuran; hexane at -78℃; for 0.0166667h; Reagent/catalyst; Time; Inert atmosphere;
95%
Stage #1: Diphenylacetonitrile With potassium hydroxide In water for 0.5h;
Stage #2: trifluoromethan In water; acetonitrile at 20℃; for 3h;
30%
trifluoromethan
75-46-7

trifluoromethan

2-(p-Chlorophenyl)-2-phenylacetonitrile
4578-80-7

2-(p-Chlorophenyl)-2-phenylacetonitrile

2-(4-chlorophenyl)-3,3-difluoro-2-phenylpropanenitrile

2-(4-chlorophenyl)-3,3-difluoro-2-phenylpropanenitrile

Conditions
ConditionsYield
Stage #1: 2-(p-Chlorophenyl)-2-phenylacetonitrile With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere;
Stage #2: trifluoromethan In tetrahydrofuran; hexane at -78℃; Inert atmosphere;
95%
trifluoromethan
75-46-7

trifluoromethan

C12H24KO6(1+)*C13H25B3N3(1-)

C12H24KO6(1+)*C13H25B3N3(1-)

C12H24KO6(1+)*C7H18B3F3N3(1-)

C12H24KO6(1+)*C7H18B3F3N3(1-)

Conditions
ConditionsYield
In tetrahydrofuran at -80℃; under 1484.08 Torr; for 0.166667h; Inert atmosphere;95%
trifluoromethan
75-46-7

trifluoromethan

C21H28N2OS

C21H28N2OS

(R)-N-((2S,3S)-3-(dibenzylamino)-1,1,1-trifluorobutan-2-yl)-2-methylpropane-2-sulfinamide

(R)-N-((2S,3S)-3-(dibenzylamino)-1,1,1-trifluorobutan-2-yl)-2-methylpropane-2-sulfinamide

Conditions
ConditionsYield
With phosphazene base-P4-tert-butyl In toluene at -78℃; for 12h; Schlenk technique; Inert atmosphere; diastereoselective reaction;94%

Trifluoromethane History

 Fluoroform (75-46-7) was first obtained by Maurice Meslans in the violent reaction of iodoform with dry silver fluoride in 1894.The reaction was improved by Otto Ruff by substitution of silver fluoride by a mixture of mercury fluoride and calcium fluoride.The exchange reaction works with iodoform and bromoform, and the exchange of the first two halogen atoms is vigorous by fluorine.and the first efficient synthesis method was found by Henne.According to researchers, it is the most abundant of Hydrofluorocarbons (HFCs). Its usage has been regulated since December 1997 at Kyoto climate conference. To mitigate its impact, CHF3 can be destroyed with electric plasma arc technologies or by high temperature incineration.

Trifluoromethane Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Trifluoromethane Standards and Recommendations

DOT Classification:  2.2; Label: Nonflammable Gas

Trifluoromethane Specification

The Fluoroform, with the CAS registry number 75-46-7, is also known as Carbon trifluoride. It belongs to the product categories of Refrigerants; Organics. Its EINECS registry number is 200-872-4. This chemical's molecular formula is CHF3 and molecular weight is 70.01. What's more, its IUPAC name is same with its product name. It is one of the "haloforms" and it is a potent greenhouse gas. And it is also generated biologically in small amounts apparently by decarboxylation of trifluoroacetic acid. In addition, it should be kept in a cool and ventilated place.

Physical properties about Fluoroform are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.179; (10)Molar Refractivity: 7.13 cm3; (11)Molar Volume: 61.7 cm3; (12)Surface Tension: 6.2 dyne/cm; (13)Density: 1.133 g/cm3; (14)Enthalpy of Vaporization: 17.17 kJ/mol at 760 mmHg; (15)Vapour Pressure: 25200 mmHg at 25 °C.

Preparation of Fluoroform: this chemical can be prepared by Ethanol with Difluoro-fluorosulfonyl-acetic acid. This reaction needs solvent acetonitrile at temperature of 50 °C. The reaction time is 1 hour. The yield is 53 %.

Fluoroform can be prepared by Ethanol with Difluoro-fluorosulfonyl-acetic acid.

Uses of Fluoroform: (1) this chemical is used in diverse niche applications and is produced as a by-product of the manufacture of Teflon. It is used in the semiconductor industry in plasma etching of silicon nitride and silicon oxide. The production is also a useful refrigerant, and is a byproduct of its manufacture; (2) this chemical is used to produce other chemicals. For example, it is used to produce Deuterio-trifluoro-methane. The reaction occurs with reagents potassium carbonate, deuterium oxide at temperature of 120 °C.

Fluoroform is used to produce Deuterio-trifluoro-methane.

When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. In case of insufficient ventilation you should wear suitable respiratory equipment.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)F
(2) InChI: InChI=1S/CHF3/c2-1(3)4/h1H
(3) InChIKey: XPDWGBQVDMORPB-UHFFFAOYSA-N

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