Phosphorisocyanatidic dichloride

Base Information

• Chemical Name: Phosphorisocyanatidic dichloride
• CAS No.: 870-30-4
• Molecular Formula: CCl2 N O2 P
• Molecular Weight: 159.896
• Hs Code.: 2931900090
• European Community (EC) Number: 212-794-8
• DSSTox Substance ID: DTXSID80236047
• Nikkaji Number: J195.143B
• Mol file: 870-30-4.mol

Synonyms:Phosphorisocyanatidic dichloride;870-30-4;dichlorophosphorylimino(oxo)methane;Phosphorisocyanatidicdichloride;EINECS 212-794-8;Isocyanatophosphonic dichloride;CCl2NO2P;dichlorophosphinyl isocyanate;dichlorophosphoryl isocyanate;C-Cl2-N-O2-P;SCHEMBL5197619;Dichloroisocyanatophosphine oxide;Isocyanatodichlorophosphine oxide;DTXSID80236047;Isocyanatophosphonic dichloride, 95%;STL280358;AKOS015958556;PHOSPHOROYL DICHLORIDE ISOCYANATE;EN300-01224;F9995-1801

Chemical Property of Phosphorisocyanatidic dichloride

Chemical Property:

• Vapor Pressure: 0.598mmHg at 25°C
• Refractive Index: n20/D1.468
• Boiling Point: 195.1°C at 760 mmHg
• Flash Point: 71.8°C
• PSA: 56.31000
• Density: 1.623 g/mL at 25 °C
• LogP: 1.90790
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.9043706
• Heavy Atom Count: 7
• Complexity: 144

Purity/Quality:

99.9% ^*data from raw suppliers

Isocyanatophosphonic dichloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NP(=O)(Cl)Cl)=O

Technology Process of Phosphorisocyanatidic dichloride

There total 15 articles about Phosphorisocyanatidic dichloride 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: 90.0%

phosphorus pentachloride (10026-13-8,874483-75-7) + urethane (51-79-6) → isocyanatophosphonic dichloride (870-30-4)

Guidance literature:

In neat (no solvent); heating very slow (due to danger of explosion) to 80°C with formation of liquid residue;; distillation;;

Reference yield: 65.0%

urethane (51-79-6) → isocyanatophosphonic dichloride (870-30-4)

Guidance literature:

With phosphorus pentachloride; In dichloromethane; for 4h; Heating;

DOI:10.1021/jm00161a016

Reference yield: 60.0%

N-(2,2,4,4-Tetramethylpent-3-yliden)-carbaminsaeureisocyanat (56924-40-4) → isocyanatophosphonic dichloride (870-30-4) + di-tert-butylchloromethyl isocyanate (37942-28-2)

Guidance literature:

With trichlorophosphate; for 4h; Heating; further reagent (PCl₅);

upstream raw materials:

trichlorophosphoranylidene-carbamic acid isopropyl ester

trichlorophosphoranylidene-carbamic acid methyl ester

trichlorophosphoranylidene-carbamic acid ethyl ester

trichlorophosphoranylidene-carbamic acid propyl ester

Downstream raw materials:

methyl (dimethoxyphosphinyl)carbamate

dichlorophosphoryl-carbamic acid-(2-chloro-phenyl ester)

(4-isopropyl-phenylcarbamoyl)-amidophosphoryl chloride

N,N-bis(aziridinyl)phosphorylurethane

Refernces

• 1、 Schwabedissen, Jan,Li, Dingqing,Reuter, Christian G.,Stammler, Hans-Georg,Mitzel, Norbert W.,Bernhardt, Eduard,Zeng, Xiaoqing. "Conformation and Structure of Dichlorophosphoryl Isocyanate in the Gaseous and Solid Phases". . p. 1415 - 1422. Retrieved 2018.
• 2、 Gholivand, Khodayar,Dorosti, Nilufar,Ghaziany, Fatemeh,Mirshahi, Manouchehr,Sarikhani, Sina. "N-phosphinyl ureas: Synthesis, characterization, X-ray structure, and in vitro evaluation of antitumor activity". scheme or table. p. 74 - 83. Retrieved 2012/04/10.