Acifluorfen-methyl

Base Information

• Chemical Name: Acifluorfen-methyl
• CAS No.: 50594-67-7
• Molecular Formula: C15H9ClF3NO5
• Molecular Weight: 375.688
• Hs Code.: 2918990090
• UNII: 9261T4QE1K
• DSSTox Substance ID: DTXSID8041583
• Nikkaji Number: J246.043B
• Wikidata: Q27271483
• ChEMBL ID: CHEMBL2269735
• Mol file: 50594-67-7.mol

Synonyms:acifluorfen-methyl

Chemical Property of Acifluorfen-methyl

Chemical Property:

• Melting Point: 58-59 °C(Solv: acetone (67-64-1))
• Boiling Point: 392.3°Cat760mmHg
• Flash Point: 191°C
• PSA: 81.35000
• Density: 1.472g/cm³
• LogP: 5.36910
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 375.0121346
• Heavy Atom Count: 25
• Complexity: 499

Purity/Quality:

97% ^*data from raw suppliers

ACIFLUORFEN METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Technology Process of Acifluorfen-methyl

There total 7 articles about Acifluorfen-methyl 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: 84.0%

2-chloro-4-trifluoromethylphenol (35852-58-5) + methyl 5-fluoro-2-nitrobenzoate (393-85-1) → 5-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]-2-nitrobenzoic acid,methyl ester (50594-67-7)

Guidance literature:

With potassium carbonate; dimethyl sulfoxide;

Reference yield: 27.0%

2-chloro-4-trifluoromethylphenol (35852-58-5) + methyl 5-chloro-2-nitrobenzoate (51282-49-6) → 5-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]-2-nitrobenzoic acid,methyl ester (50594-67-7)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide;

Reference yield:

acifluorfen (50594-66-6,94128-04-8) → 5-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]-2-nitrobenzoic acid,methyl ester (50594-67-7)

Guidance literature:

With hydrogenchloride; In methanol;

upstream raw materials:

2-chloro-4-trifluoromethylphenol

methyl 5-chloro-2-nitrobenzoate

methyl 5-fluoro-2-nitrobenzoate

acifluorfen

Downstream raw materials:

acifluorfen

2-chloro-4-trifluoromethyl-3'-hydroxymethyl-4'-nitrodiphenylether

methyl 5-(2-chloro-4-trifluoromethylphenoxy)anthranilate

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