3-Chloro-1,1,1-trifluoropropane

Base Information

• Chemical Name: 3-Chloro-1,1,1-trifluoropropane
• CAS No.: 460-35-5
• Molecular Formula: C3H4 Cl F3
• Molecular Weight: 132.513
• Hs Code.: 2903791090
• European Community (EC) Number: 207-307-0
• UNII: 5C535H1OII
• DSSTox Substance ID: DTXSID5042033
• Nikkaji Number: J64.264I
• Wikidata: Q27261813
• Mol file: 460-35-5.mol

Synonyms:3-Chloro-1,1,1-trifluoropropane;460-35-5;1-Chloro-3,3,3-trifluoropropane;PROPANE, 3-CHLORO-1,1,1-TRIFLUORO-;Freon 253;1,1,1-Trifluoro-3-chloropropane;HCFC-253fb;Monochlorotrifluoropropane;HCFC-253;3,3,3-Trifluoro-1-chloropropane;EINECS 207-307-0;BRN 1734941;UNII-5C535H1OII;5C535H1OII;3-Chloro-1,1,1-trifluoro-propane;4-01-00-00193 (Beilstein Handbook Reference);C3-H4-Cl-F3;Freon-253;CF3CH2CH2Cl;Propane, chlorotrifluoro-;SCHEMBL578425;DTXSID5042033;AMY6841;FD2078;MFCD00069094;3,3,3-TRIFLUOROCHLOROPROPANE;AKOS005063772;AB02799;AS-60539;LS-119680;CS-0022351;FT-0607609;3-Chloro-1,1,1-trifluoropropane, AldrichCPR;A826970;Q27261813;134237-44-8

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

Chemical Property:

• Vapor Pressure: 838mmHg at 25°C
• Melting Point: -106.2℃
• Refractive Index: 1.339 (589.3 nm 20℃)
• Boiling Point: 44.1 °C at 760 mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.290
• LogP: 2.17760
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 131.9953623
• Heavy Atom Count: 7
• Complexity: 48.6

Purity/Quality:

≥99.0% ^*data from raw suppliers

3-Chloro-1,1,1-trifluoropropane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 23-24/25-26

MSDS Files:

Useful:

• Canonical SMILES: C(CCl)C(F)(F)F

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

There total 21 articles about 3-Chloro-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: 60.0%

ethene (74-85-1) + chlorotrifluoromethane (75-72-9) → 3-chloro-1,1,1-trifluoropropane (460-35-5)

Guidance literature:

With iron(III) chloride; phosphoric acid tributyl ester; iron; at 115 - 120 ℃; Autoclave; Inert atmosphere;

Reference yield: 57.0%

1,1,1,3-tetrachloropropane (1070-78-6) → 3-chloro-1,1,1-trifluoropropane (460-35-5)

Guidance literature:

With antimonypentachloride; antimony(III) fluoride; In 1,2-dichloro-ethane; Ambient temperature;

DOI:10.1002/hlca.19840670813

Reference yield:

1,1,1,3-tetrachloropropane (1070-78-6) → 3-chloro-1,1,1-trifluoropropane (460-35-5) + 1,1,1-trifluoropropylene (677-21-4)

Guidance literature:

With C₈H₁₅N₂⁽¹⁺⁾*Ti⁽⁴⁺⁾*5Cl^(1-); hydrogen fluoride; at 20 - 150 ℃; for 4h; under 1500.15 Torr; Reagent/catalyst; Temperature;

upstream raw materials:

1,1,1-trifluoro-3-iodopropane

1,1,1-trifluoropropane

1,1,1,3-tetrachloropropane

chloropropionic acid

Downstream raw materials:

3,3,3-trifluoropropylamine

3,3,3-Trifluoropropanol

1,2-Dibromo-3,3,3-trifluoropropane

3-bromo-3-chloro-1,1,1-trifluoro-propane

Refernces

• 1、 -. "PROCESS FOR 1-CHLORO-3,3,3-TRIFLUOROPROPENE FROM TRIFLUOROPROPENE". Paragraph 0073. . Retrieved 2015/02/25.
• 2、 -. "Compositions". Paragraph 0108. . Retrieved 2013/09/12.