2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl

Base Information

• Chemical Name: 2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl
• CAS No.: 89803-70-3
• Molecular Formula: C14H6 F6 I2
• Molecular Weight: 542
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20371163
• Wikidata: Q82158424
• Mol file: 89803-70-3.mol

Synonyms:89803-70-3;2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl;4,4'-Diiodo-2,2'-bis(trifluoromethyl)-1,1'-biphenyl;2,2'-Di(Trifluoromethyl)-4,4'-diiodobiphenyl;4-iodo-1-[4-iodo-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;SCHEMBL3534403;DTXSID20371163;MFCD00236673;AKOS005216288;CS-0182945;FT-0642141;F75621;4,4'-diiodo-2,2'-bis(trifluoromethyl)biphenyl;2,2'-bis-(Trifluoromethyl)-4,4'-diiodobiphenyl;A843322

Chemical Property of 2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl

Chemical Property:

• Boiling Point: 396.7oC at 760 mmHg
• Flash Point: 177oC
• PSA: 0.00000
• Density: 2.038g/cm3
• LogP: 6.60040
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 541.84631
• Heavy Atom Count: 22
• Complexity: 345

Purity/Quality:

97% ^*data from raw suppliers

2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)C(F)(F)F)C2=C(C=C(C=C2)I)C(F)(F)F

Technology Process of 2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl

There total 2 articles about 2,2'-Bis(trifluoromethyl)-4,4'-diiodobiphenyl 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: 78.4%

2,2'-bis(trifluoromethyl)benzidine (341-58-2) → 2,2'-bis(trifluoromethyl)-4,4'-diiodobiphenyl (89803-70-3)

Guidance literature:

2,2'-bis(trifluoromethyl)benzidine; With sulfuric acid; sodium nitrite; In water; acetic acid; at 5 ℃; for 1h;

With potassium iodide; In water; for 3h;

Reference yield:

sulfuric acid (7664-93-9) + 2,2'-bis(trifluoromethyl)benzidine (341-58-2) → 2,2'-bis(trifluoromethyl)-4,4'-diiodobiphenyl (89803-70-3)

Guidance literature:

With sodium nitrite; In water; acetic acid;

Reference yield:

2,2'-bis(trifluoromethyl)-4,4'-diiodobiphenyl (89803-70-3) + N-(4'-ethynyl-4-biphenyl)-N-(3-tolyl)phenylamine (872352-26-6) → C68H46F6N2

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; for 6h; Inert atmosphere;

upstream raw materials:

2,2'-bis(trifluoromethyl)benzidine

sulfuric acid

Downstream raw materials:

[4-(3-{4'-[3-(4-methoxycarbonylmethoxy-3-methyl-phenylsulfanyl)-propyl]-2,2'-bis-trifluoromethyl-biphenyl-4-yl}-propylsulfanyl)-2-methyl-phenoxy]-acetic acid methyl ester

[4-(3-{4'-[3-(4-carboxymethoxy-3-methyl-phenylsulfanyl)-propyl]-2,2'-bis-trifluoromethyl-biphenyl-4-yl}-propylsulfanyl)-2-methyl-phenoxy]-acetic acid

(S,S)-3-{4-[3-(4'-{3-[4-(2-carboxy-2-ethoxy-ethyl)-phenoxy]-propyl}-2,2'-bis-trifluoromethyl-biphenyl-4-yl)-propoxy]-phenyl}-2-ethoxy-propionic acid