5-Fluoro-2-iodobenzoic acid

Base Information

• Chemical Name: 5-Fluoro-2-iodobenzoic acid
• CAS No.: 52548-63-7
• Molecular Formula: C7H4FIO2
• Molecular Weight: 266.01
• Hs Code.: 2916399090
• European Community (EC) Number: 624-728-9
• DSSTox Substance ID: DTXSID10523210
• Wikidata: Q72473557
• Mol file: 52548-63-7.mol

Synonyms:5-fluoro-2-iodobenzoic acid;52548-63-7;2-IODO-5-FLUOROBENZOIC ACID;Benzoic acid, 5-fluoro-2-iodo-;5-fluoro-2-iodo-benzoic acid;MFCD00837316;5-Fluoro-2-iodobenzoicacid;3-fluoro-6-iodo benzoic acid;SCHEMBL1150930;DTXSID10523210;XPFMQYOPTHMSJJ-UHFFFAOYSA-N;5-Fluoro-2-iodobenzoic acid, 97%;AKOS000189661;CS-W008430;PS-7328;NCGC00342824-01;SY030950;AM20040630;F1113;EN300-62485;AB01334435-02;J-517508;Z317078348

Chemical Property of 5-Fluoro-2-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 145-149 °C
• Refractive Index: 1.638
• Boiling Point: 307.896 °C at 760 mmHg
• PKA: 2.52±0.10(Predicted)
• Flash Point: 140.01 °C
• PSA: 37.30000
• Density: 2.074 g/cm³
• LogP: 2.12850
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 265.92401
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-2-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-45

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(=O)O)I

Technology Process of 5-Fluoro-2-iodobenzoic acid

There total 4 articles about 5-Fluoro-2-iodobenzoic acid 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: 75.0%

2-amino-5-fluorobenzoic acid (446-08-2) → 5-fluoro-2-iodobenzoic acid (52548-63-7)

Guidance literature:

2-amino-5-fluorobenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

With copper(l) iodide; potassium iodide; In water; at 5 - 20 ℃;

Reference yield:

10-chloro-2-fluoro-10,11-dihydro-dibenzo[b,f]thiepine (52548-59-1) + 2-amino-5-fluorobenzoic acid hydrochloride (52548-62-6) + maleic acid (110-16-7,26099-09-2) → 5-fluoro-2-iodobenzoic acid (52548-63-7)

Guidance literature:

With potassium iodide; sodium nitrite; In sulfuric acid; water;

Reference yield:

N-(4-fluoro-2-methylphenyl)acetamide (326-65-8) → 5-fluoro-2-iodobenzoic acid (52548-63-7)

Guidance literature:

Multi-step reaction with 3 steps

1: KMnO₄, aq. MgSO₄

2: aq. HCl

3: (i) NaNO₂, aq. HCl, (ii) KI, aq. H₂SO₄

With hydrogenchloride; potassium permanganate; magnesium sulfate;

DOI:10.1135/cccc19750719

upstream raw materials:

2-amino-5-fluorobenzoic acid

N-(4-fluoro-2-methylphenyl)acetamide

2-acetamido-5-fluorobenzoic acid

10-chloro-2-fluoro-10,11-dihydro-dibenzo[b,f]thiepine

Downstream raw materials:

2-(4-Chlorphenylthio)-5-fluorbenzoesaeure

2-(4-Ethoxycarbonyl-phenoxy)-5-fluoro-benzoic acid

5-fluoro-2-(4-isopropylphenylthio)benzoic acid

5-fluoro-2-(3-methoxyphenylthio)benzoic acid

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