tris(4-chlorophenyl)phosphane

• ChemBase编号: 82993
• 分子式: C18H12Cl3P
• 平均质量: 365.620641
• 单一同位素质量: 363.97422005
• SMILES: P(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)P(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• InChI: InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
• InChIKey: IQKSLJOIKWOGIZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(4-chlorophenyl)phosphane
• IUPAC传统名: tris(4-chlorophenyl)phosphane
• 别名: 三(4-氯苯基)膦; TRIS(4-CHLOROPHENYL)PHOSPHINE; tri(4-chlorophenyl)phosphine; NSC 136459; Tris(p-chlorophenyl)phosphine; Tris(4-chlorophenyl)phosphine

登记号

• CAS号: 1159-54-2
• EC号: 214-596-7
• MDL号: MFCD00013639
• Beilstein号: 751458
• PubChem SID: 24854999; 162070112
• PubChem CID: 70874

理论计算性质

• Log P: 6.6606
• 摩尔折射率: 96.0373 cm^3
• 极化性: 37.80137 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
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.6606
• LogD (pH = 7.4): 6.6606

分子性质

理化性质

• 熔点: 100-103 °C(lit.); 102-103°C; -97°C

安全信息

• 保存注意事项: Air Sensitive
• 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; R:36/37/38
• 安全公开号: 26-37; 26-37/39; S:20-25-26-37/39
• 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: 95%; 97%
• 线性分子式: (ClC6H4)3P

详细说明

MP Biomedicals - 05220322

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 249491

包装
1 g in glass bottle
Application
Catalyst for:
• Preparation of chromans and (E,E)-1,3-dienes via reaction of γ-substituted allenoates with aldehydes1
• Solvent-free Heck reactions2Cocatalyst in:
• Regioselective carbomagnesiation of terminal alkynes and enynes with alkyl Grignard reagents3
• Rhodium-catalyzed coordination-assisted regioselective alkenylation of aromatic C-H bonds with terminal silylacetylenes4
• Rhodium-catalyzed hydrogenation reactions5
• Platinum-catalyzed allylation reactions6

参考文献

• In a study of the Mitsunobu coupling of phosphonic acids with alcohols in the presence of Diisopropyl azodicarboxylate, L10386 to give phosphonate esters, reaction times were greatly reduced by the use of this phosphine in place of the usual triphenylphosphine: J. Org. Chem., 59, 658 (1994).