Isopropoxypentafluorobenzene

Base Information

• Chemical Name: Isopropoxypentafluorobenzene
• CAS No.: 61874-51-9
• Molecular Formula: C₉H₇F₅O
• Molecular Weight: 226.146
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID00539961
• Nikkaji Number: J1.131.477E
• Wikidata: Q82415794

Synonyms:Isopropoxypentafluorobenzene;61874-51-9;1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene;SCHEMBL10259660;DTXSID00539961;MFCD16620569;AKOS016015395;1,2,3,4,5-Pentafluoro-6-(1-methylethoxy)benzene;1,2,3,4,5-Pentafluoro-6-[(propan-2-yl)oxy]benzene

Chemical Property of Isopropoxypentafluorobenzene

Chemical Property:

• Vapor Pressure: 1.3mmHg at 25°C
• Boiling Point: 179oC at 760 mmHg
• Flash Point: 68.4oC
• PSA: 9.23000
• Density: 1.347g/cm3
• LogP: 3.16930
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 226.04170565
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99.9% ^*data from raw suppliers

1,2,3,4,5-Pentafluoro-6-(1-methylethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Isopropoxypentafluorobenzene

There total 1 articles about Isopropoxypentafluorobenzene 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-isopropoxypentafluorobenzene (61874-51-9)

Guidance literature:

Hexafluorbenzol, iPrOK/iPROH, Δ (S.228, 240);

DOI:10.1016/S0022-1139(00)81647-4

Reference yield: 32.5%

(3,3-dimethyl-but-1-ynyl)benzene (4250-82-2) + 1-isopropoxypentafluorobenzene (61874-51-9) → 3-iso-propoxy-7-phenyl-8-tert-butyl-1,2,4,5,6-pentafluorobicyclo<4.2.0>octatriene (96028-39-6)

Guidance literature:

In cyclohexane; for 30h; Irradiation;

DOI:10.1016/S0040-4020(01)88809-8

Reference yield: 22.0%

1-isopropoxypentafluorobenzene (61874-51-9) → perfluoro-2,5-cyclohexadiene-1-one (41481-22-5) + hexafluorocyclohexa-2,4-dien-1-one (74415-69-3)

Guidance literature:

With boron trifluoride; In dichloromethane; at 25 ℃; for 0.5h; Product distribution;

DOI:10.1021/jo00315a014

Downstream raw materials:

3-phenyl-4-methyl-7-iso-propoxy-1,2,5,6,8-pentafluoro<4.2.0>octatriene

3-iso-propoxy-7-phenyl-8-tert-butyl-1,2,4,5,6-pentafluorobicyclo<4.2.0>octatriene

perfluoro-2,5-cyclohexadiene-1-one

hexafluorocyclohexa-2,4-dien-1-one

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