dicyclohexyl(2-methylphenyl)phosphane

• ChemBase编号: 144614
• 分子式: C19H29P
• 平均质量: 288.407321
• 单一同位素质量: 288.20068756
• SMILES: Cc1ccccc1P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: Cc1ccccc1P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C19H29P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h8-10,15,17-18H,2-7,11-14H2,1H3
• InChIKey: MKHYBAIPMJGEQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclohexyl(2-methylphenyl)phosphane
• IUPAC传统名: dicyclohexyl(2-methylphenyl)phosphane
• 别名: (邻甲苯基)二环己基膦; 二环己基(2-甲基苯)膦; (o-Tolyl)dicyclohexylphosphine; Dicyclohexyl(2-methylphenyl)phosphine

登记号

• CAS号: 173593-25-4
• MDL号: MFCD08276773
• PubChem SID: 24883863; 162238826
• PubChem CID: 560927

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.2046227
• LogD (pH = 7.4): 5.3851037
• Log P: 5.5956
• 摩尔折射率: 89.0389 cm^3
• 极化性: 35.512947 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 90-93 °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: 26-36
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C19H29P

详细说明

Sigma Aldrich - 651885

包装
1 g in glass bottle
Application
Cocatalyst for:
• Nickel-catalyzed coupling reactions of alkenes, aldehydes, and silyl triflates1Catalyst for:
• Coupling of nonactivated and deactivated aryl chlorides with arylboronic acid2
• Preparation of (alkyl)(aryl)phosphines and triarylphosphines, as mediators of rhodium-catalyzed propene and hexene hydroformylation reactions3
• Ligand for PC bond cleavage during Heck vinylation of aryl halides with Bu acrylate in presence of palladium catalyst compounds4