1-(dioctylphosphoryl)octane

• ChemBase编号: 103574
• 分子式: C24H51OP
• 平均质量: 386.634901
• 单一同位素质量: 386.36775288
• SMILES: CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
• Canonical SMILES: CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
• InChIKey: ZMBHCYHQLYEYDV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(dioctylphosphoryl)octane
• IUPAC传统名: trioctylphosphine oxide
• 别名: 三正辛基氧化磷; 钍离子载体 I; 三正辛基氧膦; Tri-n-octylphosphine oxide; Thorium ionophore I; Cyanex® 921; TOPO; TRI-n-OCTYLPHOSPHINE OXIDE; Tri-n-octylphosphine oxide; Trioctylphosphine oxide; (Oct)3PO; TOPO®; Trioctylphosphine oxide

登记号

• CAS号: 78-50-2
• EC号: 201-121-3
• MDL号: MFCD00002083
• Beilstein号: 1796648
• PubChem SID: 24889739; 24861379; 162090704; 24853374; 24844936
• PubChem CID: 65577
• Chemspider ID: 59020
• 医学主题词(MeSH): Trioctyl+phosphine+oxide
• 维基百科标题: Trioctylphosphine_oxide

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.2886863
• LogD (pH = 7.4): 7.2886863
• Log P: 7.2886863
• 摩尔折射率: 121.0632 cm^3
• 极化性: 48.261536 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: White, opaque crystals
• 熔点: 50 - 54°C; 50-52 °C(lit.); 50-52°C; 52-55 °C; 52-57°C
• 沸点: 201-202 °C/2 mmHg(lit.); 212-213°C/0.3mm; 411.2°C (at 760 mmHg)
• 闪点: 110 °C; 110°C (230°F); 230 °F; 252°C(486°F)
• 密度: 0.88; 0.88 g/ml

安全信息

• 保存条件: 2-8°C
• RTECS编号: SZ1662500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077
• 德国WGK号: 2
• 危险公开号: 37/38-41; 38-41; R:36; R38, R41
• 安全公开号: 26-37/39; 26-39; S:26; S26, S39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• NFPA704:
  

  1

  3

  0
• GHS危险声明: H315-H318; H318-H315-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥90% (GC); ≥97.0% (GC); ≥98.5%; ≥98.5% (GC); 90%; 98%; 99%
• 级别: for extraction analysis; purum; ReagentPlus®; Selectophore™; technical grade
• 杂质: ≤0.2% free acid (as H3PO4); ≤0.5% water
• 痕量阳离子: Ca: ≤5 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤10 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤10 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 线性分子式: [CH3(CH2)7]3PO

详细说明

MP Biomedicals - 02152174

White crystalline powder
Used as an auxiliary reagent in the solvent extraction of metals.

Sigma Aldrich - 223301

Application
用于提取金属和氢结合有机化合物。关于工业用途的综述。1
包装
5, 25, 100 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC
TOPO 注册商标 Life Technologies

Sigma Aldrich - 346187

Application
Used as an extraction or stabilizing agent; also useful as a capping ligand for the production of quantum dots such as CdSe.
包装
100, 500 g in glass bottle
法律信息
TOPO 注册商标 Life Technologies

Sigma Aldrich - 00676

Application
Catalyst in:
• Preparation of tetradentate planar-chiral hydroxy-substituted ferrocenecarboxaldimine Schiff base ligands1
• Reactions of allyl esters with hydrosilanes2
• Asymmetric cyanosilylation of aldehydes3
• Preparation of chlorothiol formates from thiols and phosgene4
法律信息
TOPO 注册商标 Life Technologies

Sigma Aldrich - 92848

General description
请访问 传感器应用门户网站 了解更多信息。
法律信息
Selectophore 商标 Sigma-Aldrich GmbH
TOPO 注册商标 Life Technologies

Sigma Aldrich - 92850

法律信息
TOPO 注册商标 Life Technologies

Sigma Aldrich - 08616

法律信息
Cyanex 注册商标 Cytec Technology Corp.
TOPO 注册商标 Life Technologies

参考文献

• Used in the extraction of various metals into organic solvents.