chlorobis(4-methoxyphenyl)phosphane

• ChemBase编号: 142563
• 分子式: C14H14ClO2P
• 平均质量: 280.686521
• 单一同位素质量: 280.041994
• SMILES: COc1ccc(cc1)P(c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)P(c1ccc(cc1)OC)Cl
• InChI: InChI=1S/C14H14ClO2P/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3
• InChIKey: YTFQUBRFOJIJOZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chlorobis(4-methoxyphenyl)phosphane
• IUPAC传统名: chlorobis(4-methoxyphenyl)phosphane
• 别名: 双(4-甲氧基苯基)氯化膦; 氯二(4-甲氧苯基)膦; P,P-Bis(4-methoxyphenyl)phosphinous chloride; Bis(4-methoxyphenyl)chlorophosphine; Bis(4-methoxyphenyl)chlorophosphine; Chlorobis(4-methoxyphenyl)phosphine

登记号

• CAS号: 13685-30-8
• MDL号: MFCD04972301
• PubChem SID: 162236790
• PubChem CID: 4379930

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.6335
• LogD (pH = 7.4): 3.6335
• Log P: 3.6335
• 摩尔折射率: 75.2113 cm^3
• 极化性: 29.484104 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 61-64°C; 62-66 °C
• 沸点: 140°C/1.5mm

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261; UN3261
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

产品相关信息

• 纯度: 85%; 95%; 98+%
• Empirical Formula (Hill Notation): C14H14ClO2P

详细说明

Sigma Aldrich - 710377

包装
2 g in glass bottle
Application
Reactant for asymmetric:
• Allylic substitution1
• Intermolecular Pauson-Khand reaction of symmetrically substituted alkynes2
• Hydrogenation3
• Intramolecular α-arylation of aldehydes4Reactant for:
• Alcoholysis of phosphane-boranes5
• Probing hemilabile sites of Bis(phosphine) monoxide ligands6

Sigma Aldrich - 698474

包装
250 mg in glass bottle
Application
Reactant for asymmetric:
• Allylic substitution1
• Intermolecular Pauson-Khand reaction of symmetrically substituted alkynes2
• Hydrogenation3
• Intramolecular α-arylation of aldehydes4Reactant for:
• Alcoholysis of phosphane-boranes5
• Probing hemilabile sites of Bis(phosphine) monoxide ligands6