2-(diphenylphosphanyl)pyridine

• ChemBase编号: 127128
• 分子式: C17H14NP
• 平均质量: 263.273521
• 单一同位素质量: 263.08638608
• SMILES: c1(P(c2ccccc2)c2ccccc2)ncccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H
• InChIKey: SVABQOITNJTVNJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(diphenylphosphanyl)pyridine
• IUPAC传统名: diphenyl-2-pyridylphosphine
• 别名: 二苯基-2-吡啶膦; 2-(diphenylphosphino)-pyridine; Diphenyl-2-pyridylphosphine; 2-(Diphenylphosphino)pyridine; 2-Pyridyldiphenylphosphine; Diphenyl(2-pyridinyl)phosphine; Diphenyl-2-pyridylphosphine

登记号

• CAS号: 37943-90-1
• MDL号: MFCD00192108
• PubChem SID: 24864153; 162221450
• PubChem CID: 621893; 24864153
• 维基百科标题: Diphenyl-2-pyridylphosphine

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.4777465
• LogD (pH = 7.4): 4.4931006
• Log P: 4.4933
• 摩尔折射率: 79.7795 cm^3
• 极化性: 31.393484 Å^3
• 极化表面积: 12.89 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

• 外观: white crystal
• 熔点: 82-84 °C (dec.)(lit.); 82-84°C; 85°C
• 沸点: 163°C
• 作为配体的用途: Carbonatations; Dehydrogenation; Hydration Reaction; Mitsunobu Reaction; Stannylation

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: 26-36; 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• 主要危害: GHS07 Acute toxicity (oral, dermal, inhalation), category 4 Skin irritation, category 2 Eye irritation, category 2 Skin sensitization, category 1 Specific Target Organ Toxicity – Single exposure, category 3
• GHS危险声明: H315-H319-H335; H315-H319-H335-H413
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%; 98%
• 杂质: 1-3% 2-bromopyridine
• Empirical Formula (Hill Notation): C17H14NP

详细说明

Sigma Aldrich - 392960

Application
Ligand for metal-catalyzed carbonylations, hydration, dehydrogenative coupling, carbostannylation, distannylation, and silylation; reagent for Mitsunobu reaction.
包装
5 g in glass bottle