Tris(dichloromethyl)amine

Base Information

• Chemical Name: Tris(dichloromethyl)amine
• CAS No.: 25891-29-6
• Molecular Formula: C3H3Cl6N
• Molecular Weight: 265.782
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID20497392
• Nikkaji Number: J1.594.846I
• Wikidata: Q82346890
• Mol file: 25891-29-6.mol

Synonyms:Tris(dichloromethyl)amine;25891-29-6;1,1-Dichloro-N,N-bis(dichloromethyl)methanamine;SCHEMBL524051;DTXSID20497392;1, 1-dichloro-N, N-bis(dichloromethyl)methanamine

Chemical Property of Tris(dichloromethyl)amine

Chemical Property:

• Melting Point: 170-173 °C
• Boiling Point: 70 °C(Press: 0.1 Torr)
• PKA: -13.88±0.70(Predicted)
• PSA: 3.24000
• Density: 1.717±0.06 g/cm3(Predicted)
• LogP: 3.57200
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 264.836715
• Heavy Atom Count: 10
• Complexity: 74

Purity/Quality:

99% ^*data from raw suppliers

TRIS-(DICHLOROMETHYL)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-20/21/22
• Safety Statements: 45-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tris(dichloromethyl)amine

There total 4 articles about Tris(dichloromethyl)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:

triformylamine (25891-31-0) → tris(dichloromethyl)amine (25891-29-6)

Guidance literature:

With phosphorus pentachloride; In tetrachloromethane;

Reference yield:

hexafluortrimetylamin → tris(dichloromethyl)amine (25891-29-6)

Guidance literature:

With boron trichloride; Yield given;

DOI:10.1016/S0022-1139(00)84016-6

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) → tris(dichloromethyl)amine (25891-29-6)

Guidance literature:

Multistep reaction; (i) COCl₂, CHCl₃, (ii) Cl₂, (UV-irradiation);

upstream raw materials:

triformylamine

N,N-dimethyl-formamide

Downstream raw materials:

triformylamine

4-methoxy-benzaldehyde

ortho-anisaldehyde

4-methyl-benzaldehyde