Bromofos

Base Information

• Chemical Name: Bromofos
• CAS No.: 2104-96-3
• Deprecated CAS: 12778-41-5,12778-42-6
• Molecular Formula: C8H8 Br Cl2 O3 P S
• Molecular Weight: 365.999
• Hs Code.: 2920190090
• European Community (EC) Number: 218-277-3
• NSC Number: 527602
• UNII: 74A4TNE8C3
• DSSTox Substance ID: DTXSID1041683
• Nikkaji Number: J2.141E
• Wikidata: Q2926019
• NCI Thesaurus Code: C73324
• ChEMBL ID: CHEMBL2104572
• Mol file: 2104-96-3.mol

Synonyms:bromofos;bromophos;methylbromophos;Omexan

Chemical Property of Bromofos

Chemical Property:

• Melting Point: 53-56 °C
• Boiling Point: bp0.01 140-142°
• Flash Point: >100 °C
• PSA: 69.59000
• Density: 1.704±0.06 g/cm3(Predicted)
• LogP: 5.30260
• Storage Temp.: 0-6°C
• Water Solubility.: 40mg/L(room temperature)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 363.84922
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Bromophos ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn;N,N,Xn
• Statements: 22-50/53
• Safety Statements: 2-36-60-61-46

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl

Technology Process of Bromofos

There total 2 articles about Bromofos 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:

sodium 4-bromo-2,5-dichlorophenate + dimethyl chlorothiophosphate (2524-03-0) → bromophos methyl (2104-96-3)

Guidance literature:

Reference yield:

→ bromophos methyl (2104-96-3)

Guidance literature:

Reference yield: 90.0%

bromophos methyl (2104-96-3) → Methyl bromooxon (4855-62-3)

Guidance literature:

With perfluoro-cis-2-n-butyl-3-n-propyloxaziridine; In various solvent(s); for 0.0833333h; Ambient temperature;

DOI:10.1021/jo970572a

upstream raw materials:

dimethyl chlorothiophosphate

Downstream raw materials:

C₇H₅BrCl₂O₃PS^(1-)*C₄H₁₂N⁽¹⁺⁾

Methyl bromooxon