4-Iodobenzoic acid

Base Information

• Chemical Name: 4-Iodobenzoic acid
• CAS No.: 619-58-9
• Molecular Formula: C7H5IO2
• Molecular Weight: 248.02
• Hs Code.: 29163900
• European Community (EC) Number: 210-603-2
• NSC Number: 3773
• UNII: IPO4LYQ1EN
• DSSTox Substance ID: DTXSID20862304
• Nikkaji Number: J43.522H
• Wikipedia: 4-Iodobenzoic_acid
• Wikidata: Q27280838
• ChEMBL ID: CHEMBL101265
• Mol file: 619-58-9.mol

Synonyms:(125I)-para-iodobenzoate;4-Iodobenzoic acid;4-iodobenzoic acid, 125I-;para-iodobenzoate

Chemical Property of 4-Iodobenzoic acid

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 0.00015mmHg at 25°C
• Melting Point: 270-274 °C
• Boiling Point: 318.5 °C at 760 mmHg
• PKA: 4.00(at 25℃)
• Flash Point: 146.4 °C
• PSA: 37.30000
• Density: 1.999 g/cm³
• LogP: 1.98940
• Storage Temp.: Store at RT.
• Sensitive.: Light Sensitive
• Solubility.: 0.04g/l
• Water Solubility.: 0.04 g/L (25 ºC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.93343
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

4-Iodobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=CC=C1C(=O)O)I
• Uses: suzuki reaction 4-Iodobenzoic acid was used in the synthesis of [hydroxy(4-carboxyphenyl)iodonium]ion in situ that helps in the cleavage of a variety of alkenes. 4-Iodobenzoic acid was used in the synthesis of [hydroxy(4-carboxyphenyl)iodonium]ion in situ that helps in the cleavage of a variety of alkenes. It is is used as anti-infective, contraceptive agent and x-ray contrast medium for diagnostic radiology.

Technology Process of 4-Iodobenzoic acid

There total 97 articles about 4-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: 99.0%

4-tolyl iodide (624-31-7) → 4-iodobenzoic acid (619-58-9)

Guidance literature:

With tert.-butylhydroperoxide; water; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1039/d0ra03483e

Reference yield: 99.0%

methyl 4-iodobenzoate (619-44-3) → 4-iodobenzoic acid (619-58-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01241

Reference yield: 98.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-iodobenzoic acid (619-58-9)

Guidance literature:

4-amino-benzoic acid; With cation-exchange resin KU-2-8; sodium nitrite; In water; at 20 ℃; for 2.33333h;

With potassium iodide; In water; at 20 ℃; for 10h; Further stages.;

DOI:10.1055/s-2007-990950

upstream raw materials:

4-tolyl iodide

4-iodobenzonitrile

4,4'-diiodobiphenyl

4-iodosyl-benzoic acid

Downstream raw materials:

methyl 4-iodobenzoate

N-(5-benzylsulfanyl-[1,3,4]thiadiazol-2-yl)-4-iodo-benzamide

2-Acetoxyethyl-p-Iodobenzoate

4-Iodo-benzoic acid 2-propionyloxy-ethyl ester

Refernces

• 1、 Mardani, Atefeh,Kazemi, Foad,Kaboudin, Babak. "Photo-tunable oxidation of toluene and its derivatives catalyzed by TBATB". . . Retrieved 2021/05/04.
• 2、 Harada, Yumi,Hayashi, Kazuhiko,Ichimaru, Yoshimi,Imai, Masanori,Kojima, Yuki,Maeda, Azusa,Nakayama, Kanae,Sugiura, Kirara. "Efficiency of lithium cations in hydrolysis reactions of esters in aqueous tetrahydrofuran". . p. 581 - 594. Retrieved 2021/06/06.