3,3-Dichloro-4,4,4-trifluorobut-1-ene

Base Information

• Chemical Name: 3,3-Dichloro-4,4,4-trifluorobut-1-ene
• CAS No.: 175400-95-0
• Molecular Formula: C₄H₃Cl₂F₃
• Molecular Weight: 178.969
• Hs Code.: 2903793090
• DSSTox Substance ID: DTXSID50371651
• Nikkaji Number: J850.912C
• Wikidata: Q82159056
• Mol file: 175400-95-0.mol

Synonyms:3,3-dichloro-4,4,4-trifluorobut-1-ene;175400-95-0;1-Butene, 3,3-dichloro-4,4,4-trifluoro-;3,3-dichloro-4,4,4-trifluoro-1-butene;DTXSID50371651;FT-0614047

Chemical Property of 3,3-Dichloro-4,4,4-trifluorobut-1-ene

Chemical Property:

• Vapor Pressure: 140mmHg at 25°C
• Refractive Index: 1.388
• Boiling Point: 70.5°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.388g/cm³
• LogP: 2.90860
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.9563900
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

3,3-DICHLORO-4,4,4-TRIFLUOROBUT-1-ENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,F

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3-Dichloro-4,4,4-trifluorobut-1-ene

There total 2 articles about 3,3-Dichloro-4,4,4-trifluorobut-1-ene 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:

1,3,3-Trichloro-4,4,4-trifluorobutane (175401-04-4) → 3,3-Dichloro-4,4,4-trifluorobutene (175400-95-0)

Guidance literature:

With sodium hydroxide; In ethylene glycol; at 65 - 75 ℃; for 0.75h; Yield given;

DOI:10.1016/0022-1139(95)03326-2

Reference yield:

1,3,3-Trichloro-4,4,4-trifluorobutane (175401-04-4) → 3,3-Dichloro-4,4,4-trifluorobutene (175400-95-0) + (Z)-2,4-Dichloro-1,1,1-trifluoro-but-2-ene (175400-94-9) + (E)-1,3-Dichloro-4,4,4-trifluoro-but-1-ene

Guidance literature:

With sodium methylate; In methanol; for 20h; Yield given. Yields of byproduct given;

DOI:10.1016/S0022-1139(96)03513-0

upstream raw materials:

1,3,3-Trichloro-4,4,4-trifluorobutane

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