bromotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ6-phosphane

• ChemBase编号: 288309
• 分子式: C12H24BrF6N3P2+
• 平均质量: 466.1810012
• 单一同位素质量: 465.05330236
• SMILES: FP(F)(F)(F)(F)F.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1
• Canonical SMILES: FP(F)(F)(F)(F)F.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1
• InChI: InChI=1S/C12H24BrN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1
• InChIKey: HKRACUNJHSUMLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bromotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ^6-phosphane
• IUPAC传统名: bromotris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ^6-phosphane
• 别名: Bromotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)

登记号

• CAS号: 132705-51-2
• MDL号: MFCD00077412
• PubChem SID: 180673840
• PubChem CID: 0

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.2994652
• LogD (pH = 7.4): 0.2994652
• Log P: 0.2994652
• 摩尔折射率: 78.5536 cm^3
• 极化性: 31.029436 Å^3
• 极化表面积: 9.72 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%