2,5-Diiodobenzoic acid

Base Information

• Chemical Name: 2,5-Diiodobenzoic acid
• CAS No.: 14192-12-2
• Molecular Formula: C7H4I2O2
• Molecular Weight: 373.917
• Hs Code.: 2916399090
• NSC Number: 97505
• UNII: 8GD4M9C3GV
• DSSTox Substance ID: DTXSID10161858
• Nikkaji Number: J962.845B
• Wikidata: Q83030306
• Mol file: 14192-12-2.mol

Synonyms:2,5-Diiodobenzoic acid;14192-12-2;BENZOIC ACID, 2,5-DIIODO-;2,5-Dijodbenzoesaeure [German];2,5-Dijodbenzoesaeure;NSC 97505;BRN 2090444;8GD4M9C3GV;MFCD00045801;NSC-97505;Benzoic acid,2,5-diiodo-;NSC97505;UNII-8GD4M9C3GV;2,5-bis(iodanyl)benzoic acid;SCHEMBL1277864;2,5-Diiodobenzoic acid, 97%;DTXSID10161858;AMY38310;BBL035879;STK390164;AKOS000109332;CS-W009762;NCGC00341820-01;AC-30079;CS-12557;LS-37088;SY062550;BB 0244986;FT-0610388;EN300-66176;AB01334417-02;A807832;J-007570;Z1037337344

Chemical Property of 2,5-Diiodobenzoic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 7.7E-07mmHg at 25°C
• Melting Point: 183-187 °C(lit.)
• Refractive Index: 1.741
• Boiling Point: 391.753 °C at 760 mmHg
• PKA: 2.51±0.10(Predicted)
• Flash Point: 190.726 °C
• PSA: 37.30000
• Density: 2.559 g/cm³
• LogP: 2.59400
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 373.83007
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2,5-Diiodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)C(=O)O)I
• Uses: 2,5-Diiodobenzoic acid was used for detection and responses of divergent compounds which are strong electron absorbers by gas chromatography with electron capture detection.

Technology Process of 2,5-Diiodobenzoic acid

There total 5 articles about 2,5-Diiodobenzoic 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: 65.8%

2-Iodobenzoic acid (88-67-5) → 2,5-diiodobenzoic acid (14192-12-2)

Guidance literature:

With sodium iodate; sulfuric acid; iodine; In chloroform; at 25 - 30 ℃; for 1h; Solvent;

Reference yield:

2-amino-5-iodobenzoic acid (5326-47-6) → 2,5-diiodobenzoic acid (14192-12-2)

Guidance literature:

With potassium iodide; Diazotization;

Reference yield:

potassium anthranilate (37960-65-9) → 2,5-diiodobenzoic acid (14192-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: water; iodine

2: potassium iodide / Diazotization

With water; iodine; potassium iodide;

upstream raw materials:

2-amino-5-iodobenzoic acid

benzyl alcohol

potassium anthranilate

2-Iodobenzoic acid

Downstream raw materials:

2,5-diiodobenzoyl chloride

2-iodo-5-[(triisopropylsilanyl)-ethynyl]-benzoic acid

2-iodo-5-(2-oxopyridin-1(2H)-yl)benzoic acid

IDAM

Refernces

• 1、 Filimonov, Victor D.,Semenischeva, Nadya I.,Krasnokutskaya, Elena A.,Ho, Yun Hwang,Chi, Ki-Whan. "Tetraalkylammonium dichloroiodates as iodinating agents: Absence of activity in solid phases and superelectrophilic activity in sulfuric acid". . p. 401 - 404. Retrieved 2008/09/20.