2-(diphenylphosphanyl)phenol

• ChemBase编号: 143579
• 分子式: C18H15OP
• 平均质量: 278.284861
• 单一同位素质量: 278.08605173
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1O
• Canonical SMILES: Oc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15OP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
• InChIKey: HGHOYIFINVBZKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diphenylphosphanyl)phenol
• IUPAC传统名: 2-(diphenylphosphanyl)phenol
• 别名: (2-二苯基膦基)苯酚; (邻二苯基膦基)苯酚; (邻羟基苯酚)二苯基膦; (2-羟基苯基)二苯基膦; (2-Diphenylphosphino)phenol; (o-Diphenylphosphino)phenol; (o-Hydroxyphenol)diphenylphosphine; (2-Hydroxyphenyl)diphenylphosphine

登记号

• CAS号: 60254-10-6
• MDL号: MFCD00015846
• PubChem SID: 162237797
• PubChem CID: 450336

理论计算性质

• Acid pKa: 9.308372
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.8221326
• LogD (pH = 7.4): 4.8168836
• Log P: 4.8222
• 摩尔折射率: 83.6038 cm^3
• 极化性: 32.887287 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 142-150 °C

安全信息

• 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
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335-H413
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C18H15OP

详细说明

Sigma Aldrich - 723932

包装
1 g in glass bottle
Application
Catalyst for:
• Preparation of hydroxy(phosphinoxy)biphenyls1
• Formation of ethylene copolymers2
• Copolymerization of ethylene with linear olefins3
• Silylation of aryl halides4