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| | 2-Iodoxybenzoic acid Basic information |
| Product Name: | 2-Iodoxybenzoic acid | | Synonyms: | 1-hydroxy-1-oxo-3H-1$l^{5},2-benziodaoxol-3-one;2-Iodoxybenzoic Acid Stabilized (SIBX);2-Iodoxybenzoic Acid (stabilized with Benzoic Acid + Isophthalic Acid);1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide 97%, 45 wt. % IBX;SIBX, 1,3-Dihydro-1,3-dioxo-1-hydroxy-1,2-benziodoxole stabilised;Iodoxybenzoic aci;2-Iodoxybenzoic acid contains stabilizer, 45 wt. % (IBX);TRILON® | | CAS: | 61717-82-6 | | MF: | C7H5IO4 | | MW: | 280.02 | | EINECS: | 629-407-7 | | Product Categories: | Fused Ring Systems;pharmacetical;API intermediates;Iodylbenzoic acid | | Mol File: | 61717-82-6.mol |  |
| | 2-Iodoxybenzoic acid Chemical Properties |
| Melting point | 280 °C | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | solubility | DMSO (Very Slightly, Heated) | | form | powder to crystal | | color | White to Almost white | | Merck | 14,5048 | | InChI | InChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10) | | InChIKey | CQMJEZQEVXQEJB-UHFFFAOYSA-N | | SMILES | C1(C(=O)O)C=CC=CC=1I(=O)=O | | CAS DataBase Reference | 61717-82-6(CAS DataBase Reference) |
| Hazard Codes | C,Xi,Xn | | Risk Statements | 22-34-44-42/43-36/37/38-20/21/22-37-35-1 | | Safety Statements | 26-36/37/39-45-22-35 | | RIDADR | UN 1759 8/PG 2 | | WGK Germany | 3 | | HazardClass | 8 | | PackingGroup | Ⅱ | | HS Code | 29163990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Eye Dam. 1
Skin Corr. 1
STOT RE 1 Inhalation
STOT SE 3 |
| | 2-Iodoxybenzoic acid Usage And Synthesis |
| Chemical Properties | White to off-white powder, prills or agglomerates | | Uses | 2-Iodoxybenzoic Acid is used in the oxidation of alcohols in organic synthesis. It is also frequently used in the preparation of Dess-Martin periodinane. | | Uses | Stabilized 2-Iodoxybenzoic Acid (SIBX) | | Definition | ChEBI: A benziodoxole compound having hydroxy and oxo substituents at the 1-position and an oxo substituent at the 3-position. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 48, p. 4155, 1983 DOI: 10.1021/jo00170a070 | | reaction suitability | reagent type: oxidant | | Synthesis | General procedure for the synthesis of 2-iodobenzoic acid from 2-iodobenzoic acid: note: IBX may explode when subjected to shock or heated to over 200 °C. IBX was prepared with reference to the method described by Sputore and coworkers.In a 500 mL round bottom flask equipped with a mechanical stirrer, 2-iodobenzoic acid (12.5 g, 50.4 mmol) was added to a solution of Oxone (40.281 g, 65.5 mmol) in deionized water (163 mL). The reaction mixture was heated to 73 °C and stirred vigorously at this temperature for 3 hours. Subsequently, the reaction mixture was cooled to 0 °C and continued to stir slowly for 1.5 hours. The mixture was filtered through a porous glass funnel and the resulting white solid was washed sequentially with deionized water (730 mL) and acetone (235 mL). Finally, the product was dried under high vacuum for 2 days to afford 2-iodoylbenzoic acid as a white solid in 84% yield (11.848 g, 42.3 mmol). | | References | [1] European Journal of Organic Chemistry, 2012, # 7, p. 1439 - 1447
[2] Journal of Organic Chemistry, 1983, vol. 48, # 22, p. 4155 - 4156
[3] Journal of the American Chemical Society, 1991, vol. 113, # 19, p. 7277 - 7287
[4] Journal of Organic Chemistry, 2005, vol. 70, # 17, p. 6991 - 6994
[5] Tetrahedron, 2002, vol. 58, # 23, p. 4573 - 4587 |
| | 2-Iodoxybenzoic acid Preparation Products And Raw materials |
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