1,3-Bis(trifluoromethyl)-2,4-diaminobenzene

Base Information

• Chemical Name: 1,3-Bis(trifluoromethyl)-2,4-diaminobenzene
• CAS No.: 106877-23-0
• Molecular Formula: C₈H₆F₆N₂
• Molecular Weight: 244.139
• DSSTox Substance ID: DTXSID701263337
• Mol file: 106877-23-0.mol

Synonyms:106877-23-0;2,4-Bis(trifluoromethyl)-1,3-benzenediamine;SCHEMBL6310762;HTIHDDCJOHQDPI-UHFFFAOYSA-N;DTXSID701263337;1,3-Bis(trifluoromethyl)-2,4-diaminobenzene;2,4-bis(trifluoromethyl)benzene-1,3-diamine

Chemical Property of 1,3-Bis(trifluoromethyl)-2,4-diaminobenzene

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 244.04351717
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(F)(F)F)N)C(F)(F)F)N

Technology Process of 1,3-Bis(trifluoromethyl)-2,4-diaminobenzene

There total 1 articles about 1,3-Bis(trifluoromethyl)-2,4-diaminobenzene 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: 17.0%

Bromotrifluoromethane (75-63-8) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → 1,3-diamino-4-trifluoromethylbenzene (17139-64-9) + 1,3-diamino-2-trifluoromethylbenzene (106877-25-2) + 1,5-diamino-2,4-bis(trifluoromethyl)benzene (106877-24-1) + 1,3-diamino-2,4-bis(trifluoromethyl)benzene (106877-23-0)

Guidance literature:

With 2,6-dimethylpyridine; sodium metabisulfite; sulfur dioxide; zinc; In N,N-dimethyl-formamide; at 65 ℃; for 2h; under 2250.2 - 3750.3 Torr;

upstream raw materials:

Bromotrifluoromethane

m-phenylenediamine