tricyclopentylphosphane

• ChemBase编号: 136564
• 分子式: C15H27P
• 平均质量: 238.348641
• 单一同位素质量: 238.18503749
• SMILES: C1CCC(C1)P(C1CCCC1)C1CCCC1
• Canonical SMILES: C1CCC(C1)P(C1CCCC1)C1CCCC1
• InChI: InChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2
• InChIKey: DHWBYAACHDUFAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tricyclopentylphosphane
• IUPAC传统名: tricyclopentylphosphane
• 别名: 三环戊基膦; Tricyclopentylphosphine

登记号

• CAS号: 7650-88-6
• EC号: 423-150-2
• MDL号: MFCD00269834
• Beilstein号: 956779
• PubChem SID: 24883630; 162230834
• PubChem CID: 4463278

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.598127
• LogD (pH = 7.4): 3.59843
• Log P: 3.9812
• 摩尔折射率: 76.1922 cm^3
• 极化性: 28.911167 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: true

分子性质

理化性质

• 闪点: 210 °C; 410 °F
• 密度: 0.979 g/mL at 25 °C; 0.986 g/mL at 20 °C(lit.)
• 折射率: n20/D 1.538(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2845
• 德国WGK号: 3
• 联合国危险货物等级: 4.2
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 17-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H250-H314
• GHS警示性声明: P222-P231-P280-P305 + P351 + P338-P310-P422
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C15H27P

详细说明

Sigma Aldrich - 649074

包装
1, 5 g in glass bottle
Application
Cocatalyst for:
• Nickel-catalyzed cycloaddition of enones and alkynes1
• Rhodium-catalyzed allylation of aldehydes with homoallylic alcohols2
• Hydrocarbamoylation of alkynes by nickel/Lewis-acid catalysis3
• Alkenylation of imidazoles by nickel/Lewis acid catalysis
• Palladium-catalyzed Negishi cross-coupling reactions4
• PHosphine-catalyzed synthesis of 6-substituted 2-pyrones5