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

• ChemBase编号: 110667
• 分子式: C10H8N2O4
• 平均质量: 220.18152
• 单一同位素质量: 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

名称和登记号

名称

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

登记号

• CAS号: 522-27-0
• EC号: 208-326-7
• MDL号: MFCD00003247; MFCD00075315
• Beilstein号: 85894
• 默克索引号: 144306
• PubChem SID: 162096517
• PubChem CID: 5354276

理论计算性质

• Acid pKa: 4.117509
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.02575559
• LogD (pH = 7.4): -0.95310897
• Log P: 1.3841794
• 摩尔折射率: 54.498 cm^3
• 极化性: 20.272987 Å^3
• 极化表面积: 91.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: ca 165°C

安全信息

• RTECS编号: LV0590000
• 德国WGK号: 3
• TSCA收录: 是

产品相关信息

• 纯度: ≥97.0% (sum of isomers, HPLC); 97%
• 简要说明: mixture of isomers
• Empirical Formula (Hill Notation): C10H8N2O4

详细说明

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

参考文献

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