1-Chloro-n,n-bis(chloromethyl)methanamine

Base Information

• Chemical Name: 1-Chloro-n,n-bis(chloromethyl)methanamine
• CAS No.: 16395-67-8
• Molecular Formula: C3H6Cl3N
• Molecular Weight: 162.446
• NSC Number: 101834
• DSSTox Substance ID: DTXSID50295424
• Nikkaji Number: J2.788.965D
• Wikidata: Q82035360
• Mol file: 16395-67-8.mol

Synonyms:1-chloro-n,n-bis(chloromethyl)methanamine;tris(chloromethyl)amine;16395-67-8;Methanamine, 1-chloro-N,N-bis(chloromethyl)-;Methanamine, 1-chloro-N,N-bis[chloromethyl]-;NSC101834;NCIOpen2_001783;SCHEMBL10796221;DTXSID50295424;AKOS006308980;NSC-101834

Chemical Property of 1-Chloro-n,n-bis(chloromethyl)methanamine

Chemical Property:

• Vapor Pressure: 0.4mmHg at 25°C
• Boiling Point: 196.4°Cat760mmHg
• Flash Point: 72.6°C
• Density: 1.359g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 160.956582
• Heavy Atom Count: 7
• Complexity: 31.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(N(CCl)CCl)Cl

Technology Process of 1-Chloro-n,n-bis(chloromethyl)methanamine

There total 3 articles about 1-Chloro-n,n-bis(chloromethyl)methanamine 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: 99.0%

hexamethylenetetramine (100-97-0) → tris-(chloromethyl)amine (16395-67-8)

Guidance literature:

With phosphorus pentachloride; at 100 ℃; for 5.5h; Neat (no solvent);

DOI:10.1021/ja803084w

Reference yield: 8.0%

tris(azidomethyl)amine (1201890-62-1) → tris-(chloromethyl)amine (16395-67-8) + azidochloromethane (83620-40-0) + diazidomethane (107585-03-5)

Guidance literature:

With benzenesulfenyl chloride; In chloroform; at 20 ℃;

DOI:10.1016/j.tetlet.2010.03.094

Reference yield:

→ tris-(chloromethyl)amine (16395-67-8)

Guidance literature:

H2NCH2SO3H, PCl5;

DOI:10.1016/0022-1902(67)80078-2

upstream raw materials:

hexamethylenetetramine

tris(azidomethyl)amine

Downstream raw materials:

Tris(methyldiphenylsilylmethyl)amin

Tris(triphenylsilylmethyl)amin

Tris(triphenylsilylmercaptomethyl)amin

bis-(dipropylamino)methane