1,1,1-Trichloro-2,2,2-trifluoroethane

Base Information

• Chemical Name: 1,1,1-Trichloro-2,2,2-trifluoroethane
• CAS No.: 354-58-5
• Molecular Formula: C2Cl3F3
• Molecular Weight: 187.376
• Hs Code.: 29037720
• European Community (EC) Number: 247-758-0,206-564-6
• UNII: 07H0R79HO0
• DSSTox Substance ID: DTXSID5027148
• Nikkaji Number: J37J
• Wikipedia: 1,1,1-Trichloro-2,2,2-trifluoroethane
• Wikidata: Q15927952
• Mol file: 354-58-5.mol

Synonyms:1,1,1-trichloro-2,2,2-trifluoroethane;CFC-113a;Freon 113a;R-113a

Chemical Property of 1,1,1-Trichloro-2,2,2-trifluoroethane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 47.87kPa at 25℃
• Melting Point: 14 °C
• Refractive Index: 1.36
• Boiling Point: 49.3 °C at 760 mmHg
• Flash Point: None
• PSA: 0.00000
• Density: 1.67 g/cm³
• LogP: 2.91890
• Water Solubility.: 8.7mg/L at 25℃
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 185.901768
• Heavy Atom Count: 8
• Complexity: 79.5

Purity/Quality:

99.9% ^*data from raw suppliers

TF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi,N
• Statements: 59-36/37/38
• Safety Statements: 23-24/25-61-59-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: C(C(Cl)(Cl)Cl)(F)(F)F
• Uses: CFC 113a has not been offered as a commercial product. It is, however, often present in low levels in CFC 113. It, like CFC 113, is being phased out since it is an ozone-depleting substance.

Technology Process of 1,1,1-Trichloro-2,2,2-trifluoroethane

There total 54 articles about 1,1,1-Trichloro-2,2,2-trifluoroethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1-Dichloroethylene (75-35-4,9002-85-1) → 1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + 2,2,2-trifluoroethanol (420-46-2) + 1-Chloro-1,1-difluoroethane (75-68-3) + HCFC-141b (1717-00-6)

Guidance literature:

With fluorinated Co₃O₄; for 2h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1039/ft9949003585

Reference yield:

1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) → 1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + 1,1-difluorotetrachloroethane (76-11-9) + Chloropentafluoroethane (76-15-3) + 1,1-dichlorotetrafluoroethane (374-07-2) + 1,2-dichloro-1,1,2,2-tetrafluoroethane (76-14-2) + CFC-112a (76-12-0)

Guidance literature:

With chromium(III) fluoride; at 349.84 ℃; for 0.000277778h; Inert atmosphere; Flow reactor;

DOI:10.1016/j.jfluchem.2019.04.019

Reference yield:

1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) → 1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + 1,1-difluorotetrachloroethane (76-11-9) + Chloropentafluoroethane (76-15-3) + 1,1-dichlorotetrafluoroethane (374-07-2) + 1,2-dichloro-1,1,2,2-tetrafluoroethane (76-14-2)

Guidance literature:

With hydrogen fluoride; chromium(III) oxide; at 349.9 ℃; for 3h; Product distribution; Mechanism; tracer experiments with ⁽¹⁸⁾F, different flow rate and catalyst pretreatment;

DOI:10.1016/S0022-1139(00)84990-8

upstream raw materials:

1,1-difluorotetrachloroethane

1,1,1-trichloroethane

1,1,1-trifluoro-2-chloroethane

1,1,2-Trichloro-1,2,2-trifluoroethane

Downstream raw materials:

Chloropentafluoroethane

1,1-dichlorotetrafluoroethane

1,1,1,4,4,4-hexa-fluoro-2,2,3,3-tetrachlorobutane

trifluoroacetic acid

Refernces

• 1、 Bozorgzadeh, Hamid,Kemnitz, Erhard,Nickkho-Amiry, Mahmood,Skapin, Toma?,Tate, Graeme D.,Winfield, John M.. "The behaviour of chlorofluoroethanes on β-aluminium(III) fluoride: A [ 36Cl ] radiotracer study". . p. 225 - 232. Retrieved 2001.
• 2、 Bouvetin et al.. "". . p. 283,288. Retrieved 1976.
• 3、 Kijowski, Jerzy,Webb, Geoffrey,Winfield, John W.. "RADIOTRACERS IN FLUORINE CHEMISTRY. PART IX FLUORINATION OF CHLOROFLUOROETHANES BY CHROMIA CATALYSTS TREATED WITH HYDROGEN FLUORIDE OR HYDROGEN -FLUORIDE". . p. 213 - 230. Retrieved 1985.
• 4、 Tav?ar, Ga?per,Skapin, Toma?. "High surface area chromium(III)fluoride – Preparation and some properties". . p. 81 - 89. Retrieved 2019.
• 5、 -. "PROCESSES FOR THE SYNTHESIS OF 2-CHLORO-1,1,1,3,3,4,4,4-HEPTAFLUORO-2-BUTENE AND HEXAFLUORO-2-BUTYNE". Page/Page column 4. . Retrieved 2009/07/03.