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2-Iodoxybenzoic Acid

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Name

2-Iodoxybenzoic Acid

EINECS 211-010-2
CAS No. 61717-82-6 Density 2.058g/cm3
PSA 71.44000 LogP 1.75180
Solubility insoluble in water Melting Point 280 °C
Formula C7H5IO4 Boiling Point 331.824°C at 760 mmHg
Molecular Weight 280.019 Flash Point 154.482°C
Transport Information UN 1759 8/PG 2 Appearance White to off-white powder, prills or agglomerates
Safety 26-36/37/39-45-22 Risk Codes 34-44-42/43-36/37/38-20/21/22
Molecular Structure Molecular Structure of 61717-82-6 (2-Iodoxybenzoic acid) Hazard Symbols CorrosiveC, IrritantXi, HarmfulXn
Synonyms

1-Hydroxy-1,2-benziodoxol-3(H)-one 1-oxide;

Article Data 43

2-Iodoxybenzoic Acid 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

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