(2-methoxy-2-oxoethyl)triphenylphosphanium chloride

• ChemBase编号: 74874
• 分子式: C21H20ClO2P
• 平均质量: 370.809061
• 单一同位素质量: 370.08894419
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC(=O)OC.[Cl-]
• Canonical SMILES: COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C21H20O2P.ClH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
• InChIKey: CXCXTEMZMJZMJX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-methoxy-2-oxoethyl)triphenylphosphanium chloride
• IUPAC传统名: (2-methoxy-2-oxoethyl)triphenylphosphanium chloride
• 别名: (甲氧基羰基甲基)三苯基氯化鏻; (2-Methoxy-2-oxoethyl)tris(phenyl)phosphonium chloride; (Methoxycarbonylmethyl)tris(phenyl)phosphonium chloride; (Carbomethoxymethyl)triphenylphosphonium chloride; Methyl (triphenylphosphonio)acetate chloride; (Methoxycarbonylmethyl)triphenylphosphonium chloride; CARBOMETHOXYMETHYLTRIPHENYLPHOSPHONIUM CHLORIDE

登记号

• CAS号: 2181-97-7
• EC号: 000-000-0
• MDL号: MFCD00050199
• Beilstein号: 4172737
• PubChem SID: 162039792
• PubChem CID: 2733549

理论计算性质

• Acid pKa: 19.026976
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.044112
• LogD (pH = 7.4): 4.044112
• Log P: 4.044112
• 摩尔折射率: 98.1733 cm^3
• 极化性: 38.78681 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 155(dec.)°C; ca 162°C dec.

安全信息

• 保存注意事项: Hygroscopic; Irritant/Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 97%

详细说明

MP Biomedicals - 05213259

MP Biomedicals Rare Chemical collection