N-[1,2-bis(furan-2-yl)-2-(hydroxyimino)ethylidene]hydroxylamine

• ChemBase ID: 110667
• Molecular Formular: C10H8N2O4
• Molecular Mass: 220.18152
• Monoisotopic Mass: 220.04840675
• SMILES: O/N=C(/c1ccco1)\C(=N\O)\c1ccco1
• Canonical SMILES: O/N=C(\C(=N\O)\c1ccco1)/c1ccco1
• InChI: InChI=1S/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,13-14H
• InChIKey: RBOZTFPIXJBLPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1,2-bis(furan-2-yl)-2-(hydroxyimino)ethylidene]hydroxylamine; (Z)-N-[(2E)-1,2-bis(furan-2-yl)-2-(hydroxyimino)ethylidene]hydroxylamine
• IUPAC Traditional name: N-[1,2-bis(furan-2-yl)-2-(hydroxyimino)ethylidene]hydroxylamine; (Z)-N-[(2E)-1,2-bis(furan-2-yl)-2-(hydroxyimino)ethylidene]hydroxylamine
• Synonyms: Bis(2-furyl)glyoxime; (2,2′)-Furildioxime; α-FURILDIOXIME; 2,2'-Furil dioxime, mixture of isomers; 糠偶酰二肟; 联呋喃甲酰二肟; α-糠偶酰二肟

Database IDs

• CAS Number: 522-27-0
• EC Number: 208-326-7
• MDL Number: MFCD00003247; MFCD00075315
• Beilstein Number: 85894
• Merck Index: 144306
• PubChem SID: 162096517
• PubChem CID: 5354276

CALCULATED PROPERTIES

• Acid pKa: 4.117509
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.02575559
• LogD (pH = 7.4): -0.95310897
• Log P: 1.3841794
• Molar Refractivity: 54.498 cm^3
• Polarizability: 20.272987 Å^3
• Polar Surface Area: 91.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 165°C

Safety Information

• RTECS: LV0590000
• German water hazard class: 3
• TSCA Listed: 是

Product Information

• Purity: ≥97.0% (sum of isomers, HPLC); 97%
• Description: mixture of isomers
• Empirical Formula (Hill Notation): C10H8N2O4

DETAILS

MP Biomedicals - 05215880

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 90161

Application
Reagent for the spectrophotometric determination of Au(II), Co(II), Cu(II), Ni(II), Pd(II), Re(VII) and U(VI), a review1

REFERENCES

• Chelating ligand.
• Reagent for spectrophotometric determination of Co, Cu, Ni, Pd, Au, etc: Talanta, 26, 425 (1979).