2,2,2-TRICHLOROETHANIMIDAMIDE HYDROCHLORIDE

Base Information

• Chemical Name: 2,2,2-TRICHLOROETHANIMIDAMIDE HYDROCHLORIDE
• CAS No.: 42563-97-3
• Molecular Formula: C2H3 Cl3 N2 . Cl H
• Molecular Weight: 197.879
• Hs Code.: 2925290090
• European Community (EC) Number: 826-142-0
• DSSTox Substance ID: DTXSID00377865
• ChEMBL ID: CHEMBL3247216
• Mol file: 42563-97-3.mol

Synonyms:Acetamidine,2,2,2-trichloro-, hydrochloride (7CI); Ethanimidamide, 2,2,2-trichloro-,monohydrochloride (9CI); 2,2,2-Trichloroacetamidine hydrochloride;Trichloroacetamidine hydrochloride

Chemical Property of 2,2,2-TRICHLOROETHANIMIDAMIDE HYDROCHLORIDE

Chemical Property:

• PSA: 49.87000
• LogP: 2.89460
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 197.909909
• Heavy Atom Count: 8
• Complexity: 83.4

Purity/Quality:

99%min ^*data from raw suppliers

2,2,2-Trichloroethanimidamidehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=N)(C(Cl)(Cl)Cl)N.Cl

Technology Process of 2,2,2-TRICHLOROETHANIMIDAMIDE HYDROCHLORIDE

There total 3 articles about 2,2,2-TRICHLOROETHANIMIDAMIDE HYDROCHLORIDE 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: 66.0%

1-cyano-1-trifluoromethylthio-2-chloro-2-trifluoromethylethylene (77429-05-1) + trichloroacetamidine (2533-68-8) → trichloroacetamidine hydrochloride (42563-97-3) + 2-trichloromethyl-4-trifluoromethyl-5-trifluoromethylthio-6-aminopyrimidine (80862-24-4)

Guidance literature:

In diethyl ether; for 1h;

DOI:10.1007/BF00507001

Reference yield: 58.0%

2-chloro-1,1-dicyano-2-(trifluoromethyl)ethylene (76474-30-1) + trichloroacetamidine (2533-68-8) → trichloroacetamidine hydrochloride (42563-97-3) + 2-trichloromethyl-4-trifluoromethyl-5-cyano-6-aminopyrimidine (80862-23-3)

Guidance literature:

In diethyl ether; for 1h;

DOI:10.1007/BF00507001

Reference yield:

→ trichloroacetamidine hydrochloride (42563-97-3)

Guidance literature:

2,2-Dichlor-4,6-bis-(trichlormethyl)-triazaphosphorin (1), Aethanol, Kochen;

upstream raw materials:

2-chloro-1,1-dicyano-2-(trifluoromethyl)ethylene

trichloroacetamidine

1-cyano-1-trifluoromethylthio-2-chloro-2-trifluoromethylethylene

Downstream raw materials:

2-trichloromethyl-[1,3,5]triazine

formamidine hydrochloride

5-(4-nitrophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

ethyl 4-[8-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)octyl]benzoate

Refernces