ethane-1,2-diamine; ethynyllithium

• ChemBase编号: 144910
• 分子式: C4H9LiN2
• 平均质量: 92.06866
• 单一同位素质量: 92.09257785
• SMILES: [Li]C#C.C(CN)N
• Canonical SMILES: [Li]C#C.NCCN
• InChI: InChI=1S/C2H8N2.C2H.Li/c3-1-2-4;1-2;/h1-4H2;1H
• InChIKey: QJQWXTYPTBEPGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethane-1,2-diamine; ethynyllithium
• IUPAC传统名: ethylenediamine; ethynyllithium
• 别名: 乙炔锂乙二胺络合物; 乙炔基锂乙二胺络合物; 乙炔锂乙二胺复合物; Lithium acetylide, ethylenediamine complex; Lithium acetylide ethylenediamine complex

登记号

• CAS号: 6867-30-7
• EC号: 229-967-9
• MDL号: MFCD00013183
• Beilstein号: 3593824
• PubChem SID: 24871084; 24851204; 162239122; 24882212
• PubChem CID: 2724010

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• 摩尔折射率: 17.8686 cm^3
• 极化性: 7.4730473 Å^3
• 极化表面积: 52.04 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 76 °C (dec.); ca 76°C dec.
• 沸点: 110.6 °C(lit.)
• 闪点: -13 °C; 8.6 °F
• 密度: 1.04

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 3131; 3399; UN3131
• 德国WGK号: 3
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 1; 2; I
• 危险公开号: 14/15-35; 15-34; 63-11-15-34-48/20-65-67
• 安全公开号: 16-26-36/37/39-43-45-62; 26-36/37/39-43-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H260-H304-H314-H336-H361d-H373; H261-H314; H261-H314-H318
• GHS警示性声明: P210-P223-P231 + P232-P261-P370 + P378-P422; P231 + P232-P280-P305 + P351 + P338-P310-P422; P280-P305+P351+P338-P310-P370+P378I-P403-P402+P404
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3131 4.3/PG 2; UN 3399 4.3/PG 1
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (T); 90%; tech. 90%
• 浓度: 25 wt. % slurry in toluene
• 级别: technical
• 线性分子式: LiC≡CH · NH2CH2CH2NH2

详细说明

Sigma Aldrich - 475130

包装
75 g in Sure/Seal™

Sigma Aldrich - 186155

包装
10, 50, 100 g in glass bottle

参考文献

• Convenient, relatively stable form of lithium acetylide, soluble in organic solvents such as DMF, DMSO, diglyme and dioxan: J. Org. Chem., 28, 2775 (1963); 29, 1872 (1964). For addition to ketones to give ethynyl carbinols, see: J. Org. Chem., 30, 1604 (1965). For reaction with alkyl halides in DMSO to give terminal alkynes, see: Can. J. Chem., 41, 2600 (1963).