2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

Base Information

• Chemical Name: 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate
• CAS No.: 42136-30-1
• Molecular Formula: C₁₀H₉Br₂Cl₂O₄P
• Molecular Weight: 454.867
• DSSTox Substance ID: DTXSID90962305
• Mol file: 42136-30-1.mol

Synonyms:BRN 2299219;2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate;Phosphoric acid, 2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl ester;42136-30-1;C10H9Br2Cl2O4P;DTXSID90962305;C10-H9-Br2-Cl2-O4-P;LS-107611

Chemical Property of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

Chemical Property:

• Vapor Pressure: 7.95E-06mmHg at 25°C
• Boiling Point: 386.3°C at 760 mmHg
• Flash Point: 187.4°C
• Density: 1.867g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 453.79618
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(OC)OC(=C(Br)Br)C1=C(C=C(C=C1)Cl)Cl

Technology Process of 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

There total 3 articles about 2,2-Dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate 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: 71.0%

2,2,2-tribromo-1-(2,4-dichlorophenyl)ethanone (42136-26-5) + phosphorous acid trimethyl ester (121-45-9) → O,O-dimethyl O-<1-(2,4-dichlorophenyl)-2,2-dibromovinyl>phosphate (42136-30-1)

Guidance literature:

Heating;

Reference yield:

1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4) → O,O-dimethyl O-<1-(2,4-dichlorophenyl)-2,2-dibromovinyl>phosphate (42136-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / Br, AcONa / CCl₄ / Heating

2: 71 percent / Heating

With bromine; sodium acetate; In tetrachloromethane;

Reference yield:

→ O,O-dimethyl O-<1-(2,4-dichlorophenyl)-2,2-dibromovinyl>phosphate (42136-30-1)

Guidance literature:

(MeO)3P, 2,4-Dichlor-phenacylidinbromid (ohne oder mit Bzl. als Solvens; 2h bei 80-100gradC);

upstream raw materials:

2,2,2-tribromo-1-(2,4-dichlorophenyl)ethanone

phosphorous acid trimethyl ester

1-(2,4-dichlorophenyl)ethan-1-one