tert-butyldicyclohexylphosphanium; tetrafluoroboranuide

• ChemBase编号: 143648
• 分子式: C16H31BF4P
• 平均质量: 341.1957138
• 单一同位素质量: 341.2192559
• SMILES: [B-](F)(F)(F)F.CC(C)(C)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: CC([P+](C1CCCCC1)C1CCCCC1)(C)C.F[B-](F)(F)F
• InChI: InChI=1S/C16H31P.BF4/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)5/h14-15H,4-13H2,1-3H3;/q;-1/p+1
• InChIKey: XOMLPCCNVCCMRG-UHFFFAOYSA-O

名称和登记号

名称

• IUPAC标准名: tert-butyldicyclohexylphosphanium; tetrafluoroboranuide
• IUPAC传统名: tert-butyldicyclohexylphosphanium tetrafluoroborate
• 别名: Dicyclohexyl-t-butylphosphonium tetrafluoroborate; tert-Butyldicyclohexylphosphonium tetrafluoroborate

登记号

• MDL号: MFCD17677173
• PubChem SID: 162237865
• PubChem CID: 45141708

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.0827417
• LogD (pH = 7.4): 4.082868
• Log P: 4.3113
• 摩尔折射率: 78.8257 cm^3
• 极化性: 31.865664 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

• 熔点: 221-231 °C

安全信息

• 德国WGK号: nwg

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C16H32BF4P

详细说明

Sigma Aldrich - 729337

包装
1 g in glass bottle
250 mg in glass bottle