[(4-chlorophenyl)methyl]triphenylphosphanium chloride

• ChemBase编号: 82250
• 分子式: C25H21Cl2P
• 平均质量: 423.314001
• 单一同位素质量: 422.07579266
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc(cc1)Cl.[Cl-]
• Canonical SMILES: Clc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
• InChIKey: RAHOAHBOOHXRDY-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [(4-chlorophenyl)methyl]triphenylphosphanium chloride
• IUPAC传统名: [(4-chlorophenyl)methyl]triphenylphosphanium chloride
• 别名: (4-氯苄基)三苯基氯化磷; (4-氯苄基)三苯基氯化磷鎓; (4-Chlorobenzyl)tris(phenyl)phosphonium chloride; [(4-Chlorophenyl)methyl]triphenylphosphonium chloride; (4-Chlorobenzyl)triphenylphosphonium chloride

登记号

• CAS号: 1530-39-8
• EC号: 216-228-0
• MDL号: MFCD00041533
• Beilstein号: 4173400
• PubChem SID: 24866578; 162069369
• PubChem CID: 2733546

理论计算性质

• Acid pKa: 16.290993
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.956309
• LogD (pH = 7.4): 6.956309
• Log P: 6.956309
• 摩尔折射率: 116.6386 cm^3
• 极化性: 45.843193 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: >300 °C(lit.); 286-291°C; 286-291°C

安全信息

• 保存注意事项: Harmful/Irritant/Hygroscopic/Store under Argon; Hygroscopic
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 26-36; 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: H301-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 98%; 98+%
• 线性分子式: ClC6H4CH2P(C6H5)3Cl

详细说明

Sigma Aldrich - 424587

包装
5 g in glass bottle
Application
Reactant for the synthesis of:
• β-amyloid plaque ligands1
• Selective norbornane-type aspartate analog inhibitors of glutamate transporter 12
• Pyrethroids with insecticidal activity3
• Chlorinated aromatic avenaciolide analogs with antifungal activity4
• Arylethenylbenzofuroxan derivatives via Wittig-Boden reactions5
• Substituted benzofuroxans for inhibition of Trypanosoma cruzi growth6
• Styrylchromones via Wittig reactions7