1,2,3,4,5-Pentafluoro-6-(prop-1-en-2-yl)benzene

Base Information

• Chemical Name: 1,2,3,4,5-Pentafluoro-6-(prop-1-en-2-yl)benzene
• CAS No.: 711-44-4
• Molecular Formula: C9H5F5
• Molecular Weight: 208.131
• NSC Number: 97016
• DSSTox Substance ID: DTXSID40294547
• Nikkaji Number: J799.013H
• Wikidata: Q82033909
• Mol file: 711-44-4.mol

Synonyms:1,2,3,4,5-pentafluoro-6-(prop-1-en-2-yl)benzene;711-44-4;2-(Pentafluorophenyl)-1-propene;NSC97016;pentafluoroisopropenyl benzene;SCHEMBL646711;DTXSID40294547;MFCD00017902;NSC-97016;AKOS024333054;1,2,3,4,5-pentafluoro-6-isopropenylbenzene

Chemical Property of 1,2,3,4,5-Pentafluoro-6-(prop-1-en-2-yl)benzene

Chemical Property:

• Vapor Pressure: 6.39mmHg at 25°C
• Boiling Point: 144.5°C at 760 mmHg
• Flash Point: 43.6°C
• Density: 1.331g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 208.03114097
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=C)C1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of 1,2,3,4,5-Pentafluoro-6-(prop-1-en-2-yl)benzene

There total 3 articles about 1,2,3,4,5-Pentafluoro-6-(prop-1-en-2-yl)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:

2-(2,3,4,5,6-Pentafluorophenyl)propan-2-ol (715-31-1) → 1-methyl-2',3',4',5',6'-pentafluorostyrene (711-44-4)

Guidance literature:

With phosphorus pentoxide; hydroquinone;

DOI:10.1039/jr9610000808

Reference yield:

bromopentafluorobenzene (344-04-7) → 1-methyl-2',3',4',5',6'-pentafluorostyrene (711-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 635680/

2: P₂O₅, benzene-1,4-diol

With phosphorus pentoxide; hydroquinone;

DOI:10.1039/jr9610000808

Reference yield:

→ 1-methyl-2',3',4',5',6'-pentafluorostyrene (711-44-4)

Guidance literature:

2-Pentafluorphenyl-propan-2-ol, P2O5;

upstream raw materials:

2-(2,3,4,5,6-Pentafluorophenyl)propan-2-ol

bromopentafluorobenzene

Downstream raw materials:

Pentafluor-α-methyl-α-nitromethylbenzylalkohol

acridine

Pentafluor(isopropyl)benzol

(+)-2-(pentafluorophenyl)-1-propanol