3,3'-Bis(trifluoromethyl)benzidine

Base Information

• Chemical Name: 3,3'-Bis(trifluoromethyl)benzidine
• CAS No.: 346-88-3
• Molecular Formula: C₁₄H₁₀F₆N₂
• Molecular Weight: 320.237
• Hs Code.: 2921590090
• European Community (EC) Number: 692-874-0
• DSSTox Substance ID: DTXSID10371137
• Nikkaji Number: J1.340.752E
• Wikidata: Q82158395
• Mol file: 346-88-3.mol

Synonyms:346-88-3;3,3'-Bis(trifluoromethyl)benzidine;3,3'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine;3,3'-Di(trifluoromethyl)benzidine;4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline;3,3'-Bis(trifluoromethyl)-4,4'-diaminobiphenyl;SCHEMBL349356;DTXSID10371137;PJWQLRKRVISYPL-UHFFFAOYSA-N;3,3'-bis (trifluoromethyl)benzidine;MFCD00236672;AKOS005216481;PS-7048;3,3'-BIS(TRIFLUOROMETHYL)-BENZIDINE;FT-0631995;3,3'-bis(trifluoromethyl)biphenyl-4,4'-diamine;A822346;3,3'-Bis(trifluoromethyl)[1,1'-biphenyl]-4,4'-diamine

Chemical Property of 3,3'-Bis(trifluoromethyl)benzidine

Chemical Property:

• Melting Point: 180-181 °C
• Boiling Point: 364.2 °C at 760 mmHg
• PKA: 1.75±0.13(Predicted)
• Flash Point: 165.5 °C
• PSA: 52.04000
• Density: 1.609 g/cm³
• LogP: 5.71800
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 320.07481730
• Heavy Atom Count: 22
• Complexity: 345

Purity/Quality:

98%min ^*data from raw suppliers

3,3'-Bis(trifluoromethyl)benzidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 22-45-50/53
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N
• Uses: 3,3''-Bis(trifluoromethyl)benzidine (CAS# 346-88-3) can be used for optical materials due to its low thermal expansion coefficient, refractive index, dielectric constant, and good organic solvent solubility. It can also be used for electronic insulating film and organic LEDs.

Technology Process of 3,3'-Bis(trifluoromethyl)benzidine

There total 7 articles about 3,3'-Bis(trifluoromethyl)benzidine 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:

4,4'-dinitro-3,3'-bis-trifluoromethyl-biphenyl (363-95-1) → 3,3'-Bis-trifluormethyl-benzidin (346-88-3)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1039/jr9510003459

Reference yield:

4-iodo-1-nitro-2-(trifluoromethyl)benzene (393-10-2) → 3,3'-Bis-trifluormethyl-benzidin (346-88-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Cu / 220 - 225 °C

2: SnCl₂, aq. HCl

With hydrogenchloride; copper; tin(ll) chloride;

Reference yield:

N,N'-bis-(2-trifluoromethyl-phenyl)-hydrazine (444-95-1) → 3,3'-Bis-trifluormethyl-benzidin (346-88-3)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9530001994

upstream raw materials:

4,4'-dinitro-3,3'-bis-trifluoromethyl-biphenyl

N,N'-bis-(2-trifluoromethyl-phenyl)-hydrazine

4-iodo-1-nitro-2-(trifluoromethyl)benzene

2-nitrobenzotrifluoride