2-Chloro-4-iodobenzoic acid

Base Information

• Chemical Name: 2-Chloro-4-iodobenzoic acid
• CAS No.: 145343-76-6
• Molecular Formula: C7H4ClIO2
• Molecular Weight: 282.465
• Hs Code.: 2916399090
• European Community (EC) Number: 626-864-4
• DSSTox Substance ID: DTXSID10356303
• Wikidata: Q82135566
• Mol file: 145343-76-6.mol

Synonyms:2-chloro-4-iodobenzoic acid;145343-76-6;Benzoic acid, 2-chloro-4-iodo-;2-Chloro-4-iodo-benzoic acid;Benzoic acid,2-chloro-4-iodo-;AR-527/42979554;SCHEMBL1820547;DTXSID10356303;KVFAMLOGLYILKM-UHFFFAOYSA-N;2-Chloro-4-iodobenzoic acid, 96%;MFCD05863523;AKOS000109280;BS-42128;BB 0245934;C3281;CS-0139226;EN300-68162;C90851;A808351;J-008090;Z1083220146

Chemical Property of 2-Chloro-4-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 3.96E-05mmHg at 25°C
• Melting Point: 166-170 °C
• Refractive Index: 1.673
• Boiling Point: 337.9 °C at 760 mmHg
• PKA: 2.75±0.25(Predicted)
• Flash Point: 158.2 °C
• PSA: 37.30000
• Density: 2.077 g/cm³
• LogP: 2.64280
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: soluble in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.89445
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-4-iodobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25-37/38-41-50/53:
• Hazard Codes: T,N
• Statements: 25-37/38-41-50/53
• Safety Statements: 26-36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)Cl)C(=O)O

Technology Process of 2-Chloro-4-iodobenzoic acid

There total 4 articles about 2-Chloro-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:

Methyl 4-amino-2-methoxybenzoate (27492-84-8) → 2-chloro-4-iodobenzoic acid (145343-76-6)

Guidance literature:

With potassium iodide; iodine; sodium nitrite; In hydrogenchloride; water; ethyl acetate;

Reference yield:

C9H9N2O3(1+)*Cl(1-) → 2-chloro-4-iodobenzoic acid (145343-76-6)

Guidance literature:

With iodine; potassium iodide; In water; at -40 - 0 ℃;

Reference yield:

C7H4ClN2O2(1+)*BF4(1-) → 2-chloro-4-iodobenzoic acid (145343-76-6)

Guidance literature:

With potassium iodide; In water; N,N-dimethyl-formamide; for 1h;

upstream raw materials:

Methyl 4-amino-2-methoxybenzoate

4-amino-2-chlorobenzoic acid

Downstream raw materials:

2-chloro-4-iodo-benzoyl chloride

methyl 2-chloro-4-iodobenzoate

2-p-anisidino-4-iodo-benzoic acid

4-methoxy-aniline

Refernces

• 1、 -. "TRICYCLIC VASOPRESSIN AGONISTS". Page 55. . Retrieved 2010/02/08.
• 2、 -. "Tricyclic vasopressin agonists". . . Retrieved 2008/06/13.