| Identification | More | [Name]
2-Iodoxybenzoic acid | [CAS]
61717-82-6 | [Synonyms]
1,2-BENZIODOXOL-3(1H)-ONE, 1-HYDROXY, 1-OXIDE
1-HYDROXY-1,2-BENZIODOXOL-3(1H)-ONE 1-OXIDE
1-HYDROXY-1,2-BENZIODOXOL-3(H)-ONE 1-OXIDE
2-IODOXYBENZOIC ACID, STABILIZED (45 WT&
IbxO-IodoxybenzoicAcid
2-Iodoxybenzoic acid, stabilized
2-Iodoxybenzoic acid
IBX(1-HYDROXY-1,2-BENZIODOXOL-3(1H)-ONE-1-OXIDE)
2-Iodoxybenzoic acid, stabilized (45 wt.% IBX)
SIBX, Stabilized IBX
2-Iodoxybenzoic acid ,39-50% [Stabilizer：Benzoic acid 23%，Isophtalic acid 30%]
1-Hydroxy-1,3-dioxo-3H-benz[d][1,2]iodoxol
1-Hydroxy-3H-benz[d][1,2]iodoxol-1,3-dione | [EINECS(EC#)]
629-407-7 | [Molecular Formula]
C7H5IO4 | [MDL Number]
MFCD02912492 | [Molecular Weight]
280.02 | [MOL File]
61717-82-6.mol |
| Chemical Properties | Back Directory | [Appearance]
White to off-white powder, prills or agglomerates | [Melting point ]
280 °C | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
DMSO (Very Slightly, Heated) | [form ]
powder to crystal | [color ]
White to Almost white | [Detection Methods]
HPLC | [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) | [Storage Precautions]
Light sensitive |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS05,GHS07,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H314-H335-H372 | [Precautionary statements ]
P260-P270-P280-P303+P361+P353-P305+P351+P338-P314 | [Hazard Codes ]
C,Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns.
R44:Risk of explosion if heated under confinement.
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S22:Do not breathe dust . | [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 |
| Hazard Information | Back Directory | [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. | [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 |
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