lithium(1+) ion (3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate

• ChemBase编号: 142431
• 分子式: C11H19LiO2
• 平均质量: 190.20836
• 单一同位素质量: 190.1545094
• SMILES: [Li+].CC(C)(C)/C(=C/C(=O)C(C)(C)C)/[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[Li+]
• InChI: InChI=1S/C11H20O2.Li/c1-10(2,3)8(12)7-9(13)11(4,5)6;/h7,12H,1-6H3;/q;+1/p-1
• InChIKey: YGUDQHNOEYNYSP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: lithium(1+) ion (3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate; lithium(1+) ion 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• IUPAC传统名: lithium(1+) ion (3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate; lithium(1+) ion 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• 别名: (2,2,6,6-四甲基-3,5-庚二酮)锂; Lithium 2,2,6,6-tetramethyl-3,5-heptanedionate; Li(TMHD); (2,2,6,6-Tetramethyl-3,5-heptanedionato)lithium; (Li(TMHD)); Lithium Dipivaloylmethanate; 2,2,6,6-Tetramethyl-3,5-heptanedionato lithium

登记号

• CAS号: 22441-13-0
• MDL号: MFCD00142754
• PubChem SID: 162236661
• PubChem CID: 23689623

理论计算性质

• Acid pKa: 9.938291
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.4095163
• LogD (pH = 7.4): 3.408277
• Log P: 3.4095323
• 摩尔折射率: 66.2857 cm^3
• 极化性: 21.147709 Å^3
• 极化表面积: 40.13 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

• 外观: Powder
• 熔点: 127°C; 275-278 °C
• 沸点: 180°C/0.05mm

安全信息

• 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: 否
• 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%
• 线性分子式: LiC11H19O2

详细说明

Sigma Aldrich - 700215

包装
1 g in glass bottle
Application
Reactant for synthesis of:
• Bis-cycloiridiated complexes for electroluminescent studies1
• Cationic imido alkylidene complexes2
• Polyaromatic ligands containing pyrene3
• Mono-cyclometalated platinum complexes4