(Heptafluoropropyl)benzene

Base Information

• Chemical Name: (Heptafluoropropyl)benzene
• CAS No.: 378-98-3
• Molecular Formula: C9H5F7
• Molecular Weight: 246.128
• DSSTox Substance ID: DTXSID50895206
• Nikkaji Number: J316.661I
• Wikidata: Q82871378
• Mol file: 378-98-3.mol

Synonyms:(Heptafluoropropyl)benzene;378-98-3;heptafluoropropylbenzene;SCHEMBL11696796;DTXSID50895206;NS00110688

Chemical Property of (Heptafluoropropyl)benzene

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 246.02794729
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)(F)F

Technology Process of (Heptafluoropropyl)benzene

There total 20 articles about (Heptafluoropropyl)benzene 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: 86.0%

heptafluorobutyric anhydride (336-59-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → heptafluoropropyl-benzene (378-98-3)

Guidance literature:

In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 15 ℃; Rate constant; Product distribution; Thermodynamic data; ΔH(excit.), ΔS(excit.);

DOI:10.1039/c39850000234

Reference yield: 78.0%

iodobenzene (591-50-4) + 1,1,1,2,2,3,3-heptafluoro-3-iodo-propane (754-34-7) → heptafluoropropyl-benzene (378-98-3)

Guidance literature:

With zinc; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; for 0.5h; ultrasound;

DOI:10.1246/cl.1982.137

Reference yield: 35.0%

Heptafluoropropyl-eisentetracarbonyljodid (22925-82-2,65529-00-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → heptafluoropropyl-benzene (378-98-3) + bis(perfluoropropyl)(tetracarbonyl)iron (80923-39-3,97134-85-5,97134-87-7)

Guidance literature:

With silver fluoride; at 20 ℃; for 40h;

upstream raw materials:

2-heptafluoropropyl-cyclohexa-1,3-diene

iodobenzene

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

heptafluorobutyryl chloride

Downstream raw materials:

N-(4-Acetylamino-2-heptafluoropropyl-phenyl)-acetamide

N-(3-Heptafluoropropyl-4-nitro-phenyl)-acetamide

N-(3-Acetylamino-5-heptafluoropropyl-phenyl)-acetamide

N-(4-Amino-3-heptafluoropropyl-phenyl)-acetamide