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| CAS No.: | 61717-82-6 |
|---|---|
| Name: | 2-Iodoxybenzoic acid |
| Article Data: | 43 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5IO4 |
| Molecular Weight: | 280.019 |
| Synonyms: | 1-Hydroxy-1,2-benziodoxol-3(H)-one 1-oxide; |
| EINECS: | 211-010-2 |
| Density: | 2.058g/cm3 |
| Melting Point: | 280 °C |
| Boiling Point: | 331.824°C at 760 mmHg |
| Flash Point: | 154.482°C |
| Solubility: | insoluble in water |
| Appearance: | White to off-white powder, prills or agglomerates |
| Hazard Symbols: |
 C,  Xi,  Xn
|
| Risk Codes: | 34-44-42/43-36/37/38-20/21/22 |
| Safety: | 26-36/37/39-45-22 |
| Transport Information: | UN 1759 8/PG 2 |
| PSA: | 71.44000 |
| LogP: | 1.75180 |
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Specification
The 2-Iodoxybenzoic Acid, with the CAS registry number 61717-82-6, is also known as 1-Hydroxy-1,3-dioxo-3H-benz[d][1,2]iodoxol. It belongs to the product categories of Pharmacetical; API Intermediates; Fused Ring Systems. This chemical's molecular formula is C7H5IO4 and molecular weight is 280.01667. Its IUPAC name is called 1-hydroxy-1-oxo-1λ5,2-benziodoxol-3-one. The product should be sealed and stored in cool and dry place. This chemical is white to off-white powder, prills or agglomerates which can be used as important oxidant.
Physical properties of 2-Iodoxybenzoic Acid: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 71.44 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)OI2(=O)O
(2)InChI: InChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10,11)
(3)InChIKey: CQMJEZQEVXQEJB-UHFFFAOYSA-N