3,3-Dichloro-1,1,1-trifluoropropane

Base Information

• Chemical Name: 3,3-Dichloro-1,1,1-trifluoropropane
• CAS No.: 460-69-5
• Molecular Formula: C3H3 Cl2 F3
• Molecular Weight: 166.958
• Hs Code.: 2903791090
• DSSTox Substance ID: DTXSID50196684
• Nikkaji Number: J90.844D
• Wikidata: Q83069705
• Mol file: 460-69-5.mol

Synonyms:3,3-Dichloro-1,1,1-trifluoropropane;460-69-5;BRN 1737885;HCFC 243;PROPANE, 3,3-DICHLORO-1,1,1-TRIFLUORO-;1,1-dichloro-3,3,3-trifluoropropane;HCFC-243fa;SCHEMBL152381;DTXSID50196684;MFCD00800977;1,1,1-trifluoro-3,3-dichloropropane;AKOS006229628;LS-119977;FT-0614046;A826982

Chemical Property of 3,3-Dichloro-1,1,1-trifluoropropane

Chemical Property:

• Vapor Pressure: 113mmHg at 25°C
• Melting Point: -93.2 °C
• Refractive Index: 1.3512 (estimate)
• Boiling Point: 75.9°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.419g/cm³
• LogP: 2.74250
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.9563900
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

98%min ^*data from raw suppliers

3,3-Dichloro-1,1,1-trifluoropropane 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Cl)Cl)C(F)(F)F

Technology Process of 3,3-Dichloro-1,1,1-trifluoropropane

There total 14 articles about 3,3-Dichloro-1,1,1-trifluoropropane 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: 40.0%

1,1,1,3,3-pentachloropropane (23153-23-3) → 1,1-dichloro-3,3,3-trifluoropropane (460-69-5)

Guidance literature:

With hydrogen fluoride; TiClxFy; at 50 - 100 ℃; under 12929 - 20686.5 Torr; Product distribution / selectivity;

Reference yield: 7.8%

1,1,1,3,3-pentachloropropane (23153-23-3) → 1-chloro-1,3,3,3-tetrafluoropropane (149329-29-3) + 1,3-dichloro-3,3-difluoroprop-1-ene + 1,1,3,3-tetrachloro-1-fluoropropane + 1,1-dichloro-3,3,3-trifluoropropane (460-69-5) + 1,1,3-trichloro-3,3-difluoropropane (460-63-9) + 1,1,1,3,3-Pentafluoropropane (460-73-1) + 1-chloro-3,3,3-trifluoropropene (2730-43-0)

Guidance literature:

With hydrogen fluoride; In sulfolane; at 100 ℃; for 3h; under 14480.5 Torr;

Reference yield:

1,1,1,3,3-pentachloropropane (23153-23-3) → 1-chloro-1,3,3,3-tetrafluoropropane (149329-29-3) + 1,1-dichloro-3,3,3-trifluoropropane (460-69-5) + 1,1,3-trichloro-3,3-difluoropropane (460-63-9) + trans-1-chloro-3,3,3-trifluoropropene (102687-65-0)

Guidance literature:

1,1,1,3,3-pentachloropropane; With hydrogen fluoride; at 100 - 150 ℃; for 24h; under 30003 Torr;

With chlorine; at 150 ℃; for 0.0144444h;

upstream raw materials:

1,1,1-trifluoropropane

14-phenyl-14H-dibenzo[a.j]xanthene

water

1,1,1-trifluoro-3-iodopropane

Downstream raw materials:

1-chloro-3,3,3-trifluoropropene

(Z)-1-chloro-3,3,3-trifluoro-1-propene

trans-1-chloro-3,3,3-trifluoropropene

2,3,3-trichloro-1,1,1-trifluoropropane

Refernces

• 1、 -. "PROCESS FOR 1-CHLORO-3,3,3-TRIFLUOROPROPENE FROM TRIFLUOROPROPENE". Paragraph 0073. . Retrieved 2015/02/25.
• 2、 -. "PROCESS FOR PREPARING FLUORINE-CONTAINING PROPENES CONTAINING 2,3,3,3-TETRAFLUOROPROPENE AND 1,3,3,3-TETRAFLUOROPROPENE". Page/Page column 15-16. . Retrieved 2010/09/18.