2,9-dimethyl-1,10-phenanthroline

• ChemBase编号: 90332
• 分子式: C14H12N2
• 平均质量: 208.25848
• 单一同位素质量: 208.10004839
• SMILES: n1c(ccc2ccc3c(c12)nc(cc3)C)C
• Canonical SMILES: Cc1ccc2c(n1)c1nc(C)ccc1cc2
• InChI: InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
• InChIKey: IYRGXJIJGHOCFS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,9-dimethyl-1,10-phenanthroline
• IUPAC传统名: 2,9-dimethyl-1,10-phenanthroline; neocuproine
• 别名: 2,9-二甲基-1,10-菲咯啉; 新亚铜试剂; 2,9-二甲基-1,10-邻二氮杂菲半水化合物; DMPHEN; Neocuproine; 2,9-Dimethyl-1,10-phenanthroline hemihydrate; Neocuproine; 2,9-Dimethyl-1,10-phenanthroline; 2,9-Dimethyl-1,10-phenanthroline; NEOCUPROINE

登记号

• CAS号: 484-11-7; 34302-69-7
• EC号: 207-601-9
• MDL号: MFCD00149306; MFCD00004973
• Beilstein号: 153179
• 默克索引号: 146449
• PubChem SID: 162077151; 24897492
• PubChem CID: 65237
• Chemspider ID: 58734
• 维基百科标题: Neocuproine

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.280519
• LogD (pH = 7.4): 2.5465255
• Log P: 2.5512955
• 摩尔折射率: 63.0836 cm^3
• 极化性: 27.291502 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol, Acetone, Ether, Benzene, Light Petroleum (slightly); Slightly soluble in water
• 外观: Pale yellow solid; white to beige crystalline
• 熔点: 158-163°C; 160-164°C; 162-164 °C

安全信息

• 保存条件: Room Temperature (15-30°C), Protect from light
• 保存注意事项: Harmful
• 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; 26-37-60
• 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: ≥98%; 98+%

详细说明

MP Biomedicals - 02151736

Free Base
Yellowish-tan crystals
Used for spectrophotometric determination of copper.

Sigma Aldrich - N1501

包装
1, 5, 25 g in poly bottle

参考文献

• Complexing agent for Cu(I) in the formation of aryl-sulfur bonds by reaction of aryl iodides with aryl and alkyl thiols: Org. Lett., 4, 2803 (2002). Co-catalyst in the Pd-catalyzed oxidation of alcohols: Adv. Synth. Catal., 345, 1341 (2003).
• Reagent for copper: Anal. Chem., 46, 692 (1974).