2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile

Base Information

• Chemical Name: 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
• CAS No.: 14185-99-0
• Molecular Formula: C15H12 Cl2 N4
• Molecular Weight: 319.193
• Hs Code.: 2926909090
• NSC Number: 52689
• DSSTox Substance ID: DTXSID10287840
• Mol file: 14185-99-0.mol

Synonyms:14185-99-0;2-[4-[bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile;NSC52689;DTXSID10287840;NSC-52689

Chemical Property of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile

Chemical Property:

• Vapor Pressure: 3.34E-09mmHg at 25°C
• Boiling Point: 475.4°Cat760mmHg
• Flash Point: 241.3°C
• PSA: 74.61000
• Density: 1.327g/cm³
• LogP: 3.29494
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 318.0439018
• Heavy Atom Count: 21
• Complexity: 496

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=C(C#N)C#N)C#N)N(CCCl)CCCl

Technology Process of 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile

There total 2 articles about 2-[4-[Bis(2-chloroethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile 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:

ethenetetracarbonitrile (670-54-2) + aniline mustard (553-27-5) → {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-ethenetricarbonitrile (14185-99-0)

Guidance literature:

Reference yield:

1-(p--phenyl)-1,1,2,2-tetracyanethan (15993-94-9) → {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-ethenetricarbonitrile (14185-99-0)

Guidance literature:

(heating);

Reference yield:

morpholine (110-91-8,99108-56-2) + {4-[bis-(2-chloro-ethyl)-amino]-phenyl}-ethenetricarbonitrile (14185-99-0) → ({4-[bis-(2-chloro-ethyl)-amino]-phenyl}-morpholin-4-yl-methylene)-malononitrile (13191-89-4)

Guidance literature:

In N,N-dimethyl-formamide; Ambient temperature;

upstream raw materials:

1-(p--phenyl)-1,1,2,2-tetracyanethan

ethenetetracarbonitrile

aniline mustard

Downstream raw materials:

({4-[bis-(2-chloro-ethyl)-amino]-phenyl}-morpholin-4-yl-methylene)-malononitrile

({4-[bis-(2-chloro-ethyl)-amino]-phenyl}-morpholin-4-ylamino-methylene)-malononitrile

1-Propyloxy-1-(p--phenyl)-2.2-dicyanethylen

1-Methoxy-1-(p--phenyl)-2.2-dicyanethylen

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