3-Fluoro-4-nitrobenzoyl chloride

Base Information

• Chemical Name: 3-Fluoro-4-nitrobenzoyl chloride
• CAS No.: 157665-51-5
• Molecular Formula: C7H3ClFNO3
• Molecular Weight: 203.557
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30379155
• Nikkaji Number: J2.826.557C
• Wikidata: Q82168834
• Mol file: 157665-51-5.mol

Synonyms:3-fluoro-4-nitrobenzoyl chloride;157665-51-5;MFCD03094235;3-Fluoro-4-nitro-benzoyl chloride;Benzoyl chloride, 3-fluoro-4-nitro-;SCHEMBL275422;3-fluoro-4-nitrobenzoylchloride;DTXSID30379155;DPAMLESDGWVDBW-UHFFFAOYSA-N;3-fluoro,4-nitro benzoyl chloride;AC8149;3-Fluoro-4-nitrobenzoic acid chloride;PS-10701;SY248327;A907675

Chemical Property of 3-Fluoro-4-nitrobenzoyl chloride

Chemical Property:

• Melting Point: 23-25
• PSA: 62.89000
• LogP: 2.63610
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.9785488
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-4-nitrobenzoylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)Cl)F)[N+](=O)[O-]
• Uses: 3-Fluoro-4-nitrobenzoyl chloride is used as a reactant or a reagent in various organic reactions.

Technology Process of 3-Fluoro-4-nitrobenzoyl chloride

There total 3 articles about 3-Fluoro-4-nitrobenzoyl chloride 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%

oxalyl dichloride (79-37-8) + 3-fluoro-4-nitrobenzoic acid (403-21-4) → 3-fluoro-4-nitrobenzoyl chloride (157665-51-5)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

Reference yield: 99.0%

3-fluoro-4-nitrobenzoic acid (403-21-4) → 3-fluoro-4-nitrobenzoyl chloride (157665-51-5)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

Reference yield:

2-fluoro-4-methyl-1-nitrobenzene (446-34-4) → 3-fluoro-4-nitrobenzoyl chloride (157665-51-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / potassium dichromate; acetic acid; sulfuric acid / 1.5 h / 120 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 5 h / 0 °C

With potassium dichromate; oxalyl dichloride; sulfuric acid; acetic acid; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jm0497949

upstream raw materials:

3-fluoro-4-nitrobenzoic acid

2-fluoro-4-methyl-1-nitrobenzene

oxalyl dichloride

Downstream raw materials:

3-fluoro-4-nitrobenzoic acid t-butyl ester

(3-fluoro-4-nitro-phenyl)-pyrrolidin-1-yl-methanone

3-fluoro-4-nitro-benzamide

N-(4-amino-3-fluorobenzoyl)-(αS,γS)-γ-fluoroglutamic acid α,γ-diisopropyl ester