3,3,3-Trifluoropropanal

Base Information

• Chemical Name: 3,3,3-Trifluoropropanal
• CAS No.: 460-40-2
• Molecular Formula: C3H3F3O
• Molecular Weight: 112.051
• Hs Code.: 2913000090
• European Community (EC) Number: 671-022-1
• DSSTox Substance ID: DTXSID3073189
• Nikkaji Number: J1.460.047G
• Wikidata: Q66084484
• Mol file: 460-40-2.mol

Synonyms:3,3,3-trifluoropropanal

Chemical Property of 3,3,3-Trifluoropropanal

Chemical Property:

• Vapor Pressure: 1410mmHg at 25°C
• Refractive Index: 1.309
• Boiling Point: 22.366 °C at 760 mmHg
• PSA: 17.07000
• Density: 1.221 g/cm³
• LogP: 1.13770
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 112.01359920
• Heavy Atom Count: 7
• Complexity: 65.1

Purity/Quality:

3,3,3-Trifluoropropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=O)C(F)(F)F

Technology Process of 3,3,3-Trifluoropropanal

There total 38 articles about 3,3,3-Trifluoropropanal 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: 98.2%

1,1-dipentyloxy-3,3,3-trifluoropropane → 3,3,3-trifluoropropanal (460-40-2)

Guidance literature:

With methanesulfonic acid; acetic acid; at 20 - 120 ℃; for 7h;

Reference yield: 97.0%

1,1-dibutoxy-3,3,3-trifluoropropane → 3,3,3-trifluoropropanal (460-40-2)

Guidance literature:

With toluene-4-sulfonic acid; acetic acid; at 20 - 110 ℃; for 8h;

Reference yield: 96.5%

1,1-dinonoxy-3,3,3-trifluoropropane → 3,3,3-trifluoropropanal (460-40-2)

Guidance literature:

With sulfuric acid; acetic acid; at 20 - 120 ℃; for 7h;

upstream raw materials:

E/Z-1-methoxy-3,3,3-trifluoropropene

3,3,3-Trifluoropropanol

3,3,3-trifluoroprop-1-yne

1-ethoxy-3,3,3-trifluoro-1-propene

Downstream raw materials:

5,5,5',5'-tetramethyl-2,2'-(3,3,3-trifluoro-propylidene)-bis-cyclohexane-1,3-dione

3,3,3-trifluoro-propionaldehyde-(2,4-dinitro-phenylhydrazone)

4-(trifluoromethyl)-1H-pyrazole

7-iodo-9-(3',3',3'-trifluoro-propylamino)-methyl-sancycline

Refernces

• 1、 Yagupolskii, Yu. L.,Pavlenko,Shelyazhenko,Filatov,Kremlev,Mushta,Gerus,Peng, Sheng,Petrov,Nappa, Mario. "Alternative synthetic routes to hydrofluoroolefins". . p. 134 - 141. Retrieved 2015/11/10.
• 2、 Sun, Chong-Xiang,Wang, Yu,Jia, Ai-Ping,Chen, Shu-Xia,Luo, Meng-Fei,Lu, Ji-Qing. "Gas-phase epoxidation of 3,3,3-trifluoropropylene over Au/CuTiO2 catalysts with N2O as the oxidant". . p. 139 - 151. Retrieved 2014/03/21.