diphenyl phosphonate

• ChemBase编号: 151256
• 分子式: C12H11O3P
• 平均质量: 234.187701
• 单一同位素质量: 234.04458084
• SMILES: c1ccc(cc1)OP(=O)Oc1ccccc1
• Canonical SMILES: O=P(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H
• InChIKey: OGBPILLJZSJJRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diphenyl phosphonate
• IUPAC传统名: diphenyl phosphonate
• 别名: 亚磷酸二苯酯; Diphenoxyphosphine oxide; Diphenyl phosphonate; NSC 43786; Diphenyl phosphite; diphenyl phosphonate

登记号

• CAS号: 4712-55-4
• EC号: 225-202-8
• MDL号: MFCD00044497
• Beilstein号: 2051909
• PubChem SID: 24867027; 24893627; 162245412
• PubChem CID: 6327546

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.3694
• LogD (pH = 7.4): 3.3694
• Log P: 3.3694
• 摩尔折射率: 61.0919 cm^3
• 极化性: 24.54096 Å^3
• 极化表面积: 35.53 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: 12 - 14°C; 12 °C(lit.)
• 沸点: 218-219 °C/26 mmHg(lit.)
• 闪点: 176 °C; 348.8 °F
• 密度: 1.223 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.558; n20/D 1.558(lit.)
• 蒸汽压: 5 mmHg ( 140 °C)
• 蒸汽密度: 8.1 (vs air)
• 疏水性(logP): 2.155

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-37/38-41
• 安全公开号: 26-39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥95% (GC); 95%; 95+%
• 级别: technical
• 杂质: ≤15% phenol
• 线性分子式: (C6H5O)2P(O)H

详细说明

Sigma Aldrich - D210803

包装
100, 500 g in glass bottle
Application
Reactant involved in:
• Synthesis of N-benzylarylamide and di-Ph α-aminomethanephosphonate derivatives used as additives for thermooxidative stability of ester-based oils1
• One-pot three-component Kabachnik-Fields reactions2,3
• Visible light mediated oxidative phosphonylations of amines4
• Modified asymmetric Pudovik addition with haloketones5
• Tandem decarboxylation-coupling with natural alpha-amino acids6

Sigma Aldrich - 43155

Application
Reactant involved in:
• Synthesis of N-benzylarylamide and di-Ph α-aminomethanephosphonate derivatives used as additives for thermooxidative stability of ester-based oils1
• One-pot three-component Kabachnik-Fields reactions2,3
• Visible light mediated oxidative phosphonylations of amines4
• Modified asymmetric Pudovik addition with haloketones5
• Tandem decarboxylation-coupling with natural alpha-amino acids6