Acifluorfen

Base Information

• Chemical Name: Acifluorfen
• CAS No.: 50594-66-6
• Deprecated CAS: 94128-04-8
• Molecular Formula: C14H7ClF3NO5
• Molecular Weight: 361.661
• Hs Code.: 29189900
• European Community (EC) Number: 256-634-5
• UNII: OI60IB203A
• DSSTox Substance ID: DTXSID0020022
• Nikkaji Number: J10.218K
• Wikipedia: Acifluorfen
• Wikidata: Q2103461
• Metabolomics Workbench ID: 47616
• ChEMBL ID: CHEMBL222440
• Mol file: 50594-66-6.mol

Synonyms:5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate;5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoic acid;acifluorfen;acifluorfen, calcium salt;acifluorfen, potassium salt;acifluorfen, sodium salt;Blazer;RH 6201;RH-6201;scifluorfen

Chemical Property of Acifluorfen

Chemical Property:

• Vapor Pressure: 6.89E-08mmHg at 25°C
• Melting Point: 161oC
• Refractive Index: 1.575
• Boiling Point: 422.4 °C at 760 mmHg
• PKA: 1.93±0.25(Predicted)
• Flash Point: 209.2 °C
• PSA: 92.35000
• Density: 1.573 g/cm³
• LogP: 5.28070
• Storage Temp.: 0-6°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 360.9964845
• Heavy Atom Count: 24
• Complexity: 484

Purity/Quality:

99% ^*data from raw suppliers

Acifluorfen(90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn;N,N,Xn
• Statements: 22-38-41-50/53
• Safety Statements: 24-39-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of Acifluorfen

There total 19 articles about Acifluorfen 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: 85.0%

3-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acid (63734-62-3) → acifluorfen (50594-66-6,94128-04-8)

Guidance literature:

With nitric acid; In acetic anhydride; at 20 - 40 ℃; for 1h; Temperature; Industrial scale;

Reference yield: 58.8%

sodium salt of 5-(2-chloro-α,α,α-trifluoro-4-tolyloxy)-benzoic acid → acifluorfen (50594-66-6,94128-04-8)

Guidance literature:

With sulfuric acid; nitric acid; acetic anhydride; In 1,2-dichloro-ethane;

Reference yield:

5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoic acid isopropyl ester → acifluorfen (50594-66-6,94128-04-8)

Guidance literature:

With water; sodium hydroxide; In isopropyl alcohol; at 40 ℃; for 3h;

upstream raw materials:

5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoic acid sodium salt

3-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acid

5-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]-2-nitrobenzoic acid,methyl ester

1,2-dichloro-ethane

Downstream raw materials:

2-Chloro-4-trifluoromethyl-3'-(carboethoxybutoxycarbonyl)-4'-nitrodiphenyl ether

benzoyl chloride

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride

5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoic acid sodium salt

Refernces

• 1、 -. "Preparation process of acifluorfen". Paragraph 0026; 0030-0032; 0035-0037; 0040-0041. . Retrieved 2020/10/14.
• 2、 -. "Preparation method of acifluorfen". . . Retrieved 2016/10/27.