Fenitrooxone

Base Information

• Chemical Name: Fenitrooxone
• CAS No.: 2255-17-6
• Molecular Formula: C9H12 N O6 P
• Molecular Weight: 261.171
• Hs Code.: 2919900090
• European Community (EC) Number: 800-170-3
• DSSTox Substance ID: DTXSID00177084
• Nikkaji Number: J7.378D
• Wikidata: Q83047397
• ChEMBL ID: CHEMBL158718
• Mol file: 2255-17-6.mol

Synonyms:fenitrooxon;fenitrooxone;fenitroxon;O,O-dimethyl O-(3-methyl-4-nitrophenyl)phosphate

Chemical Property of Fenitrooxone

Chemical Property:

• Vapor Pressure: 0.000319mmHg at 25°C
• Boiling Point: 330.4°C at 760 mmHg
• Flash Point: 153.6°C
• PSA: 100.39000
• Density: 1.339g/cm³
• LogP: 3.20610
• Storage Temp.: 0-6°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 261.04022410
• Heavy Atom Count: 17
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-]

Technology Process of Fenitrooxone

There total 3 articles about Fenitrooxone 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: 100.0%

MEP (122-14-5) → fenitrooxon (2255-17-6)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; acetone; for 0.0833333h; Ambient temperature;

DOI:10.1016/S0040-4039(00)89065-6

Reference yield:

MEP (122-14-5) → 3-methyl-4-nitrophenol (2581-34-2,910311-23-8) + carbon dioxide (124-38-9,18923-20-1) + 2-methylbenzene-1,4-diol (95-71-6,96937-50-7) + fenitrooxon (2255-17-6)

Guidance literature:

With iron(III) chloride hexahydrate; sodium oxalate; In water; at 25 ℃; for 0.25h; pH=6; Reagent/catalyst; Concentration; Time; Kinetics; Sonication;

DOI:10.1016/j.ultsonch.2009.06.011

Reference yield:

→ fenitrooxon (2255-17-6)

Guidance literature:

DOI:10.1021/jf60150a014

upstream raw materials:

MEP

Refernces

• 1、 Sanchez-Baeza, Francisco,Durand, Gael,Barcelo, Damia,Messeguer, Angel. "DIMETHYLDIOXIRANE CONVERSION OF PHOSHINE SULFIDES AND PHOSPHOROTHIOATES INTO THEIR CORRESPONDING OXYGEN ANALOGUES". . p. 3359 - 3362. Retrieved 1990.
• 2、 Katsumata, Hideyuki,Okada, Toshiko,Kaneco, Satoshi,Suzuki, Tohru,Ohta, Kiyohisa. "Degradation of fenitrothion by ultrasound/ferrioxalate/UV system". experimental part. p. 200 - 206. Retrieved 2010/11/18.
• 3、 Zayed,Mahdy. "Decomposition of 14C-fenitrothion under the influence of UV and sunlight under tropical and subtropical conditions". . p. 1653 - 1659. Retrieved 2008/09/19.