Trichlormethine

Base Information

• Chemical Name: Trichlormethine
• CAS No.: 555-77-1
• Molecular Formula: C6H12 Cl3 N
• Molecular Weight: 204.527
• Hs Code.: 2921195000
• NSC Number: 30211
• UN Number: 2810
• UNII: 66WBM7N0NM
• DSSTox Substance ID: DTXSID7048744
• Nikkaji Number: J1.620I
• Wikipedia: HN3_(nitrogen_mustard)
• Wikidata: Q5635302
• NCI Thesaurus Code: C962
• ChEMBL ID: CHEMBL443613
• Mol file: 555-77-1.mol

Synonyms:2,2',2''-trichloroethylamine;2,2',2''-trichlorotriethylamine;2,2',2''-trichlorotriethylamine hydrochloride;2,2',2''-trichlorotriethylamine monopicrate;HN 3;HN-3;trichloromethine;trichlorotriethylamine;tris(2-chloroethyl)amine;tris(beta-chloroethyl)amine;TS-160

Chemical Property of Trichlormethine

Chemical Property:

• Vapor Pressure: 2.92mmHg at 25°C
• Melting Point: -4°
• Refractive Index: nD25 1.4925
• Boiling Point: 156.2°Cat760mmHg
• PKA: 5.05±0.50(Predicted)
• Flash Point: 48.3°C
• PSA: 3.24000
• Density: 1.21g/cm³
• LogP: 2.00480
• Storage Temp.: -20°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 203.003532
• Heavy Atom Count: 10
• Complexity: 55.7

Purity/Quality:

Tris-(2-chloroethyl)-amine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Chemical Weapons
• Canonical SMILES: C(CCl)N(CCCl)CCCl

Technology Process of Trichlormethine

There total 5 articles about Trichlormethine 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: 92.0%

triethanolamine (102-71-6,64114-46-1) → tris-(2-chloro-ethyl)-amine (555-77-1)

Guidance literature:

With thionyl chloride; In dichloromethane; at 38 - 42 ℃; for 3h;

Reference yield:

tris-(2-chloroethyl)amine hydrochloride (817-09-4) → tris-(2-chloro-ethyl)-amine (555-77-1)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

triethanolamine hydrochloride (637-39-8,67924-33-8) → tris-(2-chloro-ethyl)-amine (555-77-1)

Guidance literature:

With thionyl chloride;

upstream raw materials:

triethanolamine

triethanolamine hydrochloride

chloro-acetic acid-[bis-(2-chloro-ethyl)-amide]

tris-(2-chloroethyl)amine hydrochloride

Downstream raw materials:

(2-benzyloxy-ethyl)-bis-(2-chloro-ethyl)-amine; hydrochloride

triethanolamine

2,2'-[(2-chloroethyl)amino]diethanol

2-[bis(2-chloroethyl)amino]ethanol

Refernces

• 1、 Chailek, Nirumon,Kraithong, Sasiwimon,Sirirak, Jitnapa,Suwatpipat, Kullatat,Swanglap, Pattanawit,Wanichacheva, Nantanit. "Improving sensitivity of a new Hg2+-Selective fluorescent sensor by silver nanoparticles via plasmonic enhancement". . . Retrieved 2021.
• 2、 -. "Preparation method of levocetirizine". Paragraph 0011; 0021; 0023. . Retrieved 2020/04/17.