tripropyl[3-(tripropylphosphaniumyl)propyl]phosphanium difluoride

• ChemBase编号: 157492
• 分子式: C21H48F2P2
• 平均质量: 400.5501484
• 单一同位素质量: 400.31993124
• SMILES: CCC[P+](CCC)(CCC)CCC[P+](CCC)(CCC)CCC.[F-].[F-]
• Canonical SMILES: CCC[P+](CCC)(CCC)CCC[P+](CCC)(CCC)CCC.[F-].[F-]
• InChI: InChI=1S/C21H48P2.2FH/c1-7-14-22(15-8-2,16-9-3)20-13-21-23(17-10-4,18-11-5)19-12-6;;/h7-21H2,1-6H3;2*1H/q+2;;/p-2
• InChIKey: VTIOFIDOTGQIGA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: tripropyl[3-(tripropylphosphaniumyl)propyl]phosphanium difluoride
• IUPAC传统名: tripropyl[3-(tripropylphosphaniumyl)propyl]phosphanium difluoride
• 别名: 1,3-丙二基-双(三丙基磷)二氟化物 溶液; 1,3-Propanediyl-bis(tripropylphosphonium) difluoride solution

登记号

• CAS号: 1204424-34-9
• MDL号: MFCD16875517
• PubChem SID: 162251629
• PubChem CID: 71312523

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.7175837
• LogD (pH = 7.4): 5.7175837
• Log P: 5.7175837
• 摩尔折射率: 113.7184 cm^3
• 极化性: 45.640717 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 23 °C; 73.4 °F

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 10-23/24/25-39/23/24/25
• 安全公开号: 36/37-45
• GHS危险品标识: GHS02; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H226-H301-H311-H331-H370
• GHS警示性声明: P260-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 浓度: 0.0025 M in methanol: water (1:1)
• 适用性: suitable for LC-MS
• 痕量阴离子: bromide (Br-): ≤25 mg/L; chloride (Cl-): ≤10 mg/kg
• Empirical Formula (Hill Notation): C21H48F2P2