dicyclohexyl[2,4,6-tris(propan-2-yl)phenyl]phosphane

• ChemBase编号: 141715
• 分子式: C27H45P
• 平均质量: 400.619961
• 单一同位素质量: 400.32588807
• SMILES: CC(C)c1cc(c(c(c1)C(C)C)P(C1CCCCC1)C1CCCCC1)C(C)C
• Canonical SMILES: CC(c1cc(cc(c1P(C1CCCCC1)C1CCCCC1)C(C)C)C(C)C)C
• InChI: InChI=1S/C27H45P/c1-19(2)22-17-25(20(3)4)27(26(18-22)21(5)6)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h17-21,23-24H,7-16H2,1-6H3
• InChIKey: DTSPXGRQYHLKLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclohexyl[2,4,6-tris(propan-2-yl)phenyl]phosphane
• IUPAC传统名: dicyclohexyl(2,4,6-triisopropylphenyl)phosphane
• 别名: ((2,4,6-三异丙基)苯基)二-环己基膦; Dicyclohexyl[2,4,6-tris(1-methylethyl)phenyl]phosphine; ((2,4,6-Tri-isopropyl)phenyl)di-cyclohexylphosphine

登记号

• CAS号: 303111-96-8
• MDL号: MFCD11656073
• PubChem SID: 162235949
• PubChem CID: 9801140

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.42296
• LogD (pH = 7.4): 8.492875
• Log P: 8.7104
• 摩尔折射率: 126.5701 cm^3
• 极化性: 50.120037 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 138-140 °C

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C27H45P

详细说明

Sigma Aldrich - 701289

包装
500 mg in glass bottle
Application
Catalyst for oxidation of alcohols and hydrodechlorination of chloroarenes1