1-butyl-1-methylpiperidin-1-ium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 141823
• 分子式: C10H22F6NP
• 平均质量: 301.2525602
• 单一同位素质量: 301.13940566
• SMILES: CCCC[N+]1(CCCCC1)C.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCC[N+]1(C)CCCCC1
• InChI: InChI=1S/C10H22N.F6P/c1-3-4-8-11(2)9-6-5-7-10-11;1-7(2,3,4,5)6/h3-10H2,1-2H3;/q+1;-1
• InChIKey: FHOLSPXOTQMKMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-butyl-1-methylpiperidin-1-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-butyl-1-methylpiperidin-1-ium hexafluorophosphate
• 别名: 1-丁基-1-甲基哌啶鎓六氟磷酸盐; 1-Butyl-1-methylpiperidinium hexafluorophosphate

登记号

• MDL号: MFCD14156018
• PubChem SID: 162236057
• PubChem CID: 57369982

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.797902
• LogD (pH = 7.4): -1.797902
• Log P: -1.797902
• 摩尔折射率: 61.9173 cm^3
• 极化性: 19.910934 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

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
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• 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: ≥98.5% (NMR); 99%
• 杂质: ≤0.5% water
• 痕量阴离子: bromide (Br-): ≤25 mg/kg; chloride (Cl-): ≤25 mg/kg; fluoride (F-): ≤25 mg/kg; nitrate (NO3-): ≤25 mg/kg; phosphate (PO43-): ≤25 mg/kg; sulfate (SO42-): ≤25 mg/kg
• Empirical Formula (Hill Notation): C10H22F6NP

详细说明

Sigma Aldrich - 713090

包装
5, 50 g in poly bottle