triphenyl-λ5-phosphanethione

• ChemBase编号: 83015
• 分子式: C18H15PS
• 平均质量: 294.350461
• 单一同位素质量: 294.06320811
• SMILES: P(=S)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: S=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: VYNGFCUGSYEOOZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triphenyl-λ^5-phosphanethione; triphenyl-$l^{5}-phosphanethione
• IUPAC传统名: triphenyl-λ^5-phosphanethione; triphenylphosphine sulfide
• 别名: 三苯基膦硫; 三苯基硫化膦; Triphenylphosphine sulfide; Triphenylthioxophosphorane; Triphenylphosphine sulfide; triphenylphosphine sulphide

登记号

• CAS号: 3878-45-3
• EC号: 223-407-7
• MDL号: MFCD00004917
• Beilstein号: 645872
• PubChem SID: 24848200; 24889796; 162070134
• PubChem CID: 19758
• Chemspider ID: 18610
• 维基百科标题: Triphenylphosphine_sulfide

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.4894
• LogD (pH = 7.4): 5.4894
• Log P: 5.4894
• 摩尔折射率: 91.0567 cm^3
• 极化性: 36.259323 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: dichloromethane, ethanol
• 外观: white solid
• 熔点: 158-164°C; 161-163 °C; 161-163 °C(lit.)

安全信息

• RTECS编号: SZ2820000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN3464
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 20/21/22-36/37/38; 21/22-36/37/38
• 安全公开号: 26-36/37
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H319-H335; H331-H302-H312-H315-H319-H335
• GHS警示性声明: P261-P280-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: ≥98.0% (HPLC); 98%
• 级别: purum
• 线性分子式: (C6H5)3PS

详细说明

Sigma Aldrich - 135100

包装
5, 25 g in glass bottle

参考文献

• In the presence of TFA, converts epoxides to episulfides (thiiranes) of the same stereochemistry: J. Am. Chem. Soc., 94, 2880 (1972).
• The Pd-catalyzed bisalkoxycarbonylation of olefins gives improved yields in the presence of triphenylphosphine sulfide as a ligand. The phosphine oxide and selenide were significantly less effective, and no product was obtained with triphenylphosphine itself: Tetrahedron Lett, 39, 7529 (1998):