2,5-DICHLOROPHENYL ISOCYANATE

Base Information

• Chemical Name: 2,5-DICHLOROPHENYL ISOCYANATE
• CAS No.: 5392-82-5
• Molecular Formula: C7H3Cl2NO
• Molecular Weight: 188.013
• Hs Code.: 2929109000
• European Community (EC) Number: 226-396-7
• NSC Number: 6302
• UNII: BMH358YGW4
• DSSTox Substance ID: DTXSID4063826
• Nikkaji Number: J150.843A
• Wikidata: Q69757064
• Mol file: 5392-82-5.mol

Synonyms:2,5-Dichlorophenyl Isocyanate;1,4-Dichloro-2-isocyanato-benzene;Isocyanic acid, 2, 5-dichlorophenyl ester;

Chemical Property of 2,5-DICHLOROPHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 0.0356mmHg at 25°C
• Melting Point: 28-30°C
• Refractive Index: 1.575
• Boiling Point: 241.6 °C at 760 mmHg
• Flash Point: 92 °C
• PSA: 29.43000
• Density: 1.37 g/cm³
• LogP: 2.96070
• Storage Temp.: 0-10°C
• Sensitive.: Moisture Sensitive
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.9591691
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichlorophenyl Isocyanate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/25-36/37/38-42-42/43-23/24/25
• Safety Statements: 23-26-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N=C=O)Cl

Technology Process of 2,5-DICHLOROPHENYL ISOCYANATE

There total 6 articles about 2,5-DICHLOROPHENYL ISOCYANATE 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: 82.79%

→ 2,5-dichlorophenylisocyanate (5392-82-5)

Guidance literature:

In 1,2-dichloro-ethane; at 0 - 20 ℃; Reflux;

Reference yield:

2,5 dichloroaniline (95-82-9) + bis(trichloromethyl) carbonate (32315-10-9) → 2,5-dichlorophenylisocyanate (5392-82-5)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 5h;

DOI:10.1016/0223-5234(94)90026-4

Reference yield:

phosgene (75-44-5) + 2,5-dichloroaniline hydrochloride (33663-41-1) → 2,5-dichlorophenylisocyanate (5392-82-5)

Guidance literature:

With chlorobenzene;

DOI:10.1021/ja01170a507

upstream raw materials:

phosgene

2,5 dichloroaniline

2,5-dichloroacetanilide

2,5-dichloroaniline hydrochloride

Downstream raw materials:

2-morpholin-4-yl-cyclohex-2-enecarboxylic acid 2,5-dichloro-anilide

3-amino-N-(2,5-dichlorophenyl)-1H-indazole-1-carboxamide

N-(2,5-dichlorophenyl)-N'-(1H-indazol-3-yl)urea

N-(2,5-dichlorophenyl)hydrazinecarboxamide

Refernces

• 1、 -. "N - (4 - (3 - amino - 1 H - indazole - 4 - yl) phenyl) - N' - (2 - fluoro - 5 - methylphenyl) urea intermediate preparation method". Paragraph 0120; 0122; 0123. . Retrieved 2018/03/02.
• 2、 Zhou, Shuguang,Yao, Ting,Yi, Jicheng,Li, Dashuai,Xiong, Jing. "A simple and efficient synthesis of diaryl ureas with reduction of the intermediate isocyanate by triethylamine". . p. 315 - 319. Retrieved 2013/07/27.