(2-oxoethyl)triphenylphosphanium chloride

• ChemBase编号: 152270
• 分子式: C20H18ClOP
• 平均质量: 340.783081
• 单一同位素质量: 340.07837951
• SMILES: c1ccc(cc1)[P+](CC=O)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: O=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1
• InChIKey: RVEJRPJGKXTQIF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-oxoethyl)triphenylphosphanium chloride
• IUPAC传统名: (2-oxoethyl)triphenylphosphanium chloride
• 别名: 2-氧乙基三苯基氯化磷; (甲酰甲基)三苯基氯化磷; (甲酰基甲基)三苯基氯化鏻; 2-Oxoethyltriphenylphosphonium chloride; (Formylmethyl)triphenylphosphonium chloride; 2-Oxoethyltriphenylphosphomium chloride; (Formylmethyl)triphenylphosphonium chloride

登记号

• CAS号: 62942-43-2
• EC号: 263-767-2
• MDL号: MFCD00012003
• Beilstein号: 4060813
• PubChem SID: 24871339; 162246415
• PubChem CID: 2733863

理论计算性质

• Acid pKa: 18.874743
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.739602
• LogD (pH = 7.4): 3.739602
• Log P: 3.739602
• 摩尔折射率: 92.4788 cm^3
• 极化性: 36.28601 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 209-212 °C (dec.)(lit.); ca 210°C dec.

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-41
• 安全公开号: 26-36/37/39; 26-39
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301-H318; H302-H318
• GHS警示性声明: P280-P301+P310-P305+P351+P338-P321-P405-P501A; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (AT); 97%; 98%; 98+%
• 线性分子式: HCOCH2P(Cl)(C6H5)3

详细说明

Sigma Aldrich - 47718

包装
10 g in glass bottle
Application
Reactant for:
• Hydroazidation reactions in preparation of a-azido alcohols1
• Preparation of prodrug (2-hydroxyamino-vinyl)-triphenyl-phosphonium (HVTP) inhibitor of peroxidase activity and apoptosis2
• Intramolecular [4 + 3] cycloaddition reactions3

参考文献

• Undergoes the Wittig reaction with aldehydes to give acrylic aldehydes either in the presence of base or by prior conversion to the phosphorane. For references see (Formylmethylene)triphenylphosphorane, A11709.