2-[(1E)-({2-[(E)-[(2-hydroxyphenyl)methylidene]amino]ethyl}imino)methyl]phenol

• ChemBase编号: 102296
• 分子式: C16H16N2O2
• 平均质量: 268.31044
• 单一同位素质量: 268.12117776
• SMILES: Oc1c(cccc1)/C=N/CC/N=C/c1c(O)cccc1
• Canonical SMILES: Oc1ccccc1/C=N/CC/N=C/c1ccccc1O
• InChI: InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2
• InChIKey: VEUMANXWQDHAJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1E)-({2-[(E)-[(2-hydroxyphenyl)methylidene]amino]ethyl}imino)methyl]phenol; 2-{[(2-{[(2-hydroxyphenyl)methylidene]amino}ethyl)imino]methyl}phenol
• IUPAC传统名: salcomine; 2-{[(2-{[(2-hydroxyphenyl)methylidene]amino}ethyl)imino]methyl}phenol
• 别名: N,N′-双水杨醛缩乙二胺; 二亚水杨基乙二胺; N,N′-双(亚水杨基)乙二胺; N,N'-双(亚水杨基)乙二胺; 2,2'-((Ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenol; 2,2′-Ethylenebis(nitrilomethylidene)diphenol; N,N′-Ethylenebis(salicylimine); N,N′-Bis(salicylidene)ethylenediamine; N,N'-DISALICYLIDENEETHYLENEDIAMINE; 2,2'-Ethylenebis(nitrilomethylidene)diphenol; N,N'-Ethylenebis(salicylimine); bis-(SALICYLIDENE) ETHYLENEDIAMINE; bis-(SALICYLIDENE) ETHYLENEDIAMINE; N,N'-DISALICYLIDENEETHYLENEDIAMINE; Salen; N,N'-Bis(salicylidene)ethylenediamine

登记号

• CAS号: 94-93-9
• EC号: 202-376-3
• MDL号: MFCD00002244
• Beilstein号: 535296
• 默克索引号: 148322
• PubChem SID: 162088617; 24849142; 24854136
• PubChem CID: 5377801

理论计算性质

• Acid pKa: 8.584891
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.4199345
• LogD (pH = 7.4): 3.019816
• Log P: 3.065516
• 摩尔折射率: 81.1844 cm^3
• 极化性: 29.935825 Å^3
• 极化表面积: 65.18 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: chloroform: soluble0.1 g/mL, clear
• 熔点: 125-126 °C; 127-128 °C(lit.); 129-131°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: SL3780000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.0% (NT); 98%
• 级别: for fluorescence; purum
• 线性分子式: (CH2N=CHC6H4OH)2

详细说明

MP Biomedicals - 05204368

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101039

Reagent for fluorometric determination of magnesium.

Sigma Aldrich - 236071

包装
10 g in glass bottle

Sigma Aldrich - 15155

Other Notes
荧光测定镁的试剂1；关于过渡金属络合物的综述2

参考文献

• White, C.E. and Cuttitta, F., Anal. Chem. , 31 : 2083, (1959).
• Chelating ligand.