4-Butyl-4'-iodobiphenyl

Base Information

• Chemical Name: 4-Butyl-4'-iodobiphenyl
• CAS No.: 199982-02-0
• Molecular Formula: C16H17I
• Molecular Weight: 336.21
• DSSTox Substance ID: DTXSID30697240
• Nikkaji Number: J891.195I
• Wikidata: Q72514337
• Mol file: 199982-02-0.mol

Synonyms:4-BUTYL-4'-IODOBIPHENYL;199982-02-0;1-butyl-4-(4-iodophenyl)benzene;4'-BUTYL-4-IODOBIPHENYL;C16H17I;4-Butyl-4'-iodo-1,1'-biphenyl;DTXSID30697240;MFCD16619281;1,1'-Biphenyl, 4-butyl-4'-iodo-;AKOS015909737;DS-13876;B5211;CS-0152346;FT-0705359;T70523;ISOPROPYL4-[(CHLOROACETYL)AMINO]BENZOATE;J-514855

Chemical Property of 4-Butyl-4'-iodobiphenyl

Chemical Property:

• Melting Point: 118.0 to 122.0 °C
• Boiling Point: 357.137 °C at 760 mmHg
• Flash Point: 162.02 °C
• PSA: 0.00000
• Density: 1.381 g/cm³
• LogP: 5.30080
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 336.03750
• Heavy Atom Count: 17
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

4'-Butyl-4-iodobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I

Technology Process of 4-Butyl-4'-iodobiphenyl

There total 2 articles about 4-Butyl-4'-iodobiphenyl 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: 91.0%

4-butylbiphenyl (37909-95-8) → 4-butyl-4'-iodobiphenyl (199982-02-0)

Guidance literature:

With sulfuric acid; iodine; acetic acid; In ethanol; for 5h; Reflux;

Reference yield:

1-([1,1'-biphenyl]-4-yl)butan-1-one (13211-01-3) → 4-butyl-4'-iodobiphenyl (199982-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; Rh/Al₂O₃; tin(IV) chloride / methanol / 2 h / 20 °C / 75007.5 Torr / Autoclave

2: acetic acid; sulfuric acid; iodine / ethanol / 5 h / Reflux

With sulfuric acid; Rh/Al₂O₃; hydrogen; iodine; tin(IV) chloride; acetic acid; In methanol; ethanol;

upstream raw materials:

1-([1,1'-biphenyl]-4-yl)butan-1-one

4-butylbiphenyl