8-hydroxy-7-iodoquinoline-5-sulfonic acid

• ChemBase ID: 104190
• Molecular Formular: C9H6INO4S
• Molecular Mass: 351.11771
• Monoisotopic Mass: 350.90622668
• SMILES: Oc1c(I)cc(c2cccnc12)S(=O)(=O)O
• Canonical SMILES: Ic1cc(c2c(c1O)nccc2)S(=O)(=O)O
• InChI: InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
• InChIKey: ZBJWWKFMHOAPNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-7-iodoquinoline-5-sulfonic acid
• IUPAC Traditional name: ferron
• Synonyms: Ferron; Iodoxyquinolinesulfonic acid; 8-Hydroxy-7-iodo-5-quinolinesulfonic acid; 8-HYDROXY-7-IODOQUINOLINE-5-SULFONIC ACID; 7-IODO-8-HYDROXYQUINOLINE-5-SULFONIC ACID; 8-羟基-7-碘喹啉-5-磺酸; 高铁试剂; 8-羟基-7-碘-5-喹啉磺酸

Database IDs

• CAS Number: 547-91-1
• EC Number: 208-938-4
• MDL Number: MFCD00006793
• Beilstein Number: 223832
• PubChem SID: 24879346; 162091019
• PubChem CID: 11043

CALCULATED PROPERTIES

• Acid pKa: -4.368493
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.4452022
• LogD (pH = 7.4): -0.7284112
• Log P: -0.57990354
• Molar Refractivity: 65.9452 cm^3
• Polarizability: 27.45412 Å^3
• Polar Surface Area: 87.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269°C; 269-270 °C (dec.)(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VC2800000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2585
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2585 8/PG 3

Product Information

• Purity: ≥98.5%; ≥98.5% (T); 98%; 99%
• Quality: for spectrophotometric det. of Fe(III)
• Empirical Formula (Hill Notation): C9H6INO4S

DETAILS

MP Biomedicals - 05222001

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 114634

Application
For the colorimetric determination of ferric ion.

Sigma Aldrich - 55370

Other Notes
Reagent for the extraction and spectrophotometric determination of Fe1
Packaging
100, 500 g in glass bottle