1,3-Bis(3,4-dichlorophenyl)urea

Base Information

• Chemical Name: 1,3-Bis(3,4-dichlorophenyl)urea
• CAS No.: 4300-43-0
• Molecular Formula: C13H8Cl4N2O
• Molecular Weight: 350.031
• Hs Code.: 2924299090
• European Community (EC) Number: 672-237-3
• NSC Number: 70259,35217
• UNII: W5A83C0L6P
• DSSTox Substance ID: DTXSID20195624
• Nikkaji Number: J1.468.705J
• Wikidata: Q27292329
• Pharos Ligand ID: UAKDFNPAX2T1
• ChEMBL ID: CHEMBL10835
• Mol file: 4300-43-0.mol

Synonyms:MMV665852

Chemical Property of 1,3-Bis(3,4-dichlorophenyl)urea

Chemical Property:

• Vapor Pressure: 1.2E-05mmHg at 25°C
• Melting Point: 281-282 °C
• Boiling Point: 369.2°Cat760mmHg
• PKA: 12.16±0.70(Predicted)
• Flash Point: 177.1°C
• PSA: 41.13000
• Density: 1.608g/cm³
• LogP: 6.09020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 349.936124
• Heavy Atom Count: 20
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

3,3'',4,4''-Tetrachlorocarbanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
• Uses: 3,3'',4,4''-Tetrachlorocarbanilide is a chlorocarbanilide co-?contaminate in US aquatic environments.

Technology Process of 1,3-Bis(3,4-dichlorophenyl)urea

There total 10 articles about 1,3-Bis(3,4-dichlorophenyl)urea 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: 91.0%

3,4-dichlorophenylisocyanate (102-36-3) + m,p-dichloroaniline (95-76-1) → 1,3-bis(3,4-dichlorophenyl)urea (4300-43-0)

Guidance literature:

In chloroform; at 20 ℃; for 1h;

DOI:10.1021/jm020269o

Reference yield: 80.0%

3,4-dichlorophenylisocyanate (102-36-3) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → 1,3-bis(3,4-dichlorophenyl)urea (4300-43-0) + C28H22Cl2NO2P

Guidance literature:

In tetrahydrofuran; for 20h; Reflux;

DOI:10.1080/10426507.2017.1370467

Reference yield: 40.0%

3,4-dichlorophenylisocyanate (102-36-3) → 1,3-bis(3,4-dichlorophenyl)urea (4300-43-0)

Guidance literature:

With 5-imino-4-methyl-2-sulfonamido-δ²-1,3,4-thiadiazoline; triethylamine; In acetonitrile; Heating;

DOI:10.1016/S0223-5234(98)80033-0

upstream raw materials:

3,4-dichlorophenylisocyanate

m,p-dichloroaniline

sarcosine

glycine

Downstream raw materials:

phenyl isocyanate

m,p-dichloroaniline

methyl N-(3,4-dichlorophenyl)carbamate

Refernces

• 1、 Hashem, Ahmed I.,El-Hussieny, Marwa,Abd-El-Maksoud, Mansoura A.,Maigali, Soher S.,Mansour, Shaimaa T.,Soliman, Fouad M.. "Chemistry of phosphorus ylides: Part 45 synthesis of phosphoranylidene, thietane, azetidine and thiazinane derivatives as potent chemo preventative agents". . p. 1 - 9. Retrieved 2017/09/25.
• 2、 -. "ACTIVATORS OF MYOSIN II FOR MODULATING CELL MECHANICS". Paragraph 00160. . Retrieved 2015/07/07.