Dichloro(trifluoromethyl)amine

Base Information

• Chemical Name: Dichloro(trifluoromethyl)amine
• CAS No.: 13880-73-4
• Molecular Formula: CCl2F3N
• Molecular Weight: 153.919
• Hs Code.: 2903799090
• DSSTox Substance ID: DTXSID50509053
• Nikkaji Number: J81.690F
• Wikidata: Q82366378
• Mol file: 13880-73-4.mol

Synonyms:Dichloro(trifluoromethyl)amine;13880-73-4;N,N-dichloro-1,1,1-trifluoromethanamine;N,N-dichloro-1,1,1-trifluoromethylamine;SCHEMBL1845885;DTXSID50509053;UXGJEINGLVOJME-UHFFFAOYSA-N;N-Chloro-N-(trifluoromethyl)hypochlorous amide (non-preferred name)

Chemical Property of Dichloro(trifluoromethyl)amine

Chemical Property:

• Boiling Point: 16.57°C (rough estimate)
• PSA: 3.24000
• LogP: 2.11580
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 152.9359889
• Heavy Atom Count: 7
• Complexity: 58.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(N(Cl)Cl)(F)(F)F

Technology Process of Dichloro(trifluoromethyl)amine

There total 2 articles about Dichloro(trifluoromethyl)amine 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:

silver fluoride (11113-87-4) + cyanogen chloride (506-77-4) → cis-hexafluoroazomethane (73513-59-4) + chlorotrifluoromethane (75-72-9) + Dichlorodifluoromethane (75-71-8) + N-chlorobistrifluoromethylamine (431-94-7) + N,N-Dichlor-1,1,1-trifluormethanamin (13880-73-4)

Guidance literature:

With chlorine; at 75-140°C under pressure;

DOI:10.1021/ja00871a014

Reference yield:

silver(II) fluoride + cyanogen chloride (506-77-4) → cis-hexafluoroazomethane (73513-59-4) + Dichlorodifluoromethane (75-71-8) + N,N-Dichlor-1,1,1-trifluormethanamin (13880-73-4)

Guidance literature:

byproducts: CF3Cl, CFCl3, CClF2N2CF3; at 100°C;

Reference yield:

N,N-Dichlor-1,1,1-trifluormethanamin (13880-73-4) → perfluoromethylamine (61165-75-1)

Guidance literature:

Multistep reaction; (i) CCl₂F₂, HCl, (ii) Me₃N;

DOI:10.1021/ja00496a012

upstream raw materials:

silver fluoride

cyanogen chloride

Downstream raw materials:

perfluoromethylamine

mercuric chloride