3,3,3-Trifluoropropyne

Base Information

• Chemical Name: 3,3,3-Trifluoropropyne
• CAS No.: 661-54-1
• Molecular Formula: C3H F3
• Molecular Weight: 94.0361
• Hs Code.: 2903399090
• European Community (EC) Number: 211-548-7
• DSSTox Substance ID: DTXSID30216298
• Nikkaji Number: J102.048J
• Wikidata: Q83092508
• Mol file: 661-54-1.mol

Synonyms:3,3,3-Trifluoropropyne;661-54-1;3,3,3-trifluoroprop-1-yne;3,3,3-Trifluoro-1-propyne;(Trifluoromethyl)acetylene;1-Propyne, 3,3,3-trifluoro-;C3HF3;Propyne, 3,3,3-trifluoro-;EINECS 211-548-7;TRIFLUOROMETHYLACETYLENE;1,1,1-Trifluoropropyne;CF3C.$.CH;3,3,3-trifluoro-prop-1-yne;C3-H-F3;DTXSID30216298;MFCD00041552;3,3,3-Trifluoro-1-propyne, 97%;AKOS009157679;AB01877;CID 5370978;FT-0613974

Chemical Property of 3,3,3-Trifluoropropyne

Chemical Property:

• Vapor Pressure: 92.6mmHg at 25°C
• Refractive Index: 1.2910 (estimate)
• Boiling Point: -48--47°C
• Flash Point: 9.7°C
• PSA: 0.00000
• Density: 1.38g/cm³
• LogP: 1.18190
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 94.00303452
• Heavy Atom Count: 6
• Complexity: 79.9

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): R11:Highly flammable.
• Hazard Codes: F
• Statements: 11
• Safety Statements: 9-16-23-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated
• Canonical SMILES: C#CC(F)(F)F

Technology Process of 3,3,3-Trifluoropropyne

There total 48 articles about 3,3,3-Trifluoropropyne 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: 97.6%

(Z)-1-chloro-3,3,3-trifluoro-1-propene (99728-16-2) → 3,3,3-trifluoroprop-1-yne (661-54-1)

Guidance literature:

With potassium hydroxide; In methanol; water; at 38 ℃; for 2.5h; Product distribution / selectivity;

Reference yield: 63.5%

(Z)-1,3,3,3-tetrafluoropropene (29118-25-0) → 3,3,3-trifluoroprop-1-yne (661-54-1) + (Z)-1-chloro-3,3,3-trifluoro-1-propene (99728-16-2)

Guidance literature:

With potassium hydroxide; at 70 ℃; for 9h; under 3750.38 Torr; Sealed tube;

Reference yield: 63.5%

(Z)-1,3,3,3-tetrafluoropropene (29118-25-0) → 3,3,3-trifluoroprop-1-yne (661-54-1)

Guidance literature:

With potassium hydroxide; at 70 ℃; for 9h; under 3750.38 Torr; Product distribution / selectivity;

upstream raw materials:

2,3-dichloro-1,1,1-trifluoropropane

3,3-dibromo-1,1,1-trifluoro-propane

3-bromo-1,1,1-trifluoro-3-iodo-propane

3,3,3-trifluoro-1-iodo-propene

Downstream raw materials:

1,1,1-trifluoropropane

3,3,3-trifluoropropanal

1,1,1-trifluoro-2-propanone

1-phenyl 1-hydroxy 1-methyl perfluoro butine-⁽²⁾

Refernces

• 1、 -. "Method for preparing 3, 3, 3-trifluoropropyne through gas-phase dehydrohalogenation". Paragraph 0037-0039; 0043-0045. . Retrieved 2021/06/23.
• 2、 -. "Preparation method of Z-1-halogen-3, 3, 3-trifluoropropene". Paragraph 0047-0048; 0050. . Retrieved 2021/05/01.