1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 93212
• 分子式: C9H16ClF6N2P
• 平均质量: 332.6539202
• 单一同位素质量: 332.06438215
• SMILES: ClC(=[N+]1CCCC1)N1CCCC1.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.ClC(=[N+]1CCCC1)N1CCCC1
• InChI: InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1
• InChIKey: NHEGCUSBUWGOQM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; hexafluoro-$l^{5}-phosphanuide; 1-[chloro(pyrrolidin-1-yl)methylidene]-1λ^5-pyrrolidin-1-ylium; hexafluoro-λ^5-phosphanuide; (1E)-1-[chloro(pyrrolidin-1-yl)methylidene]-1λ^5-pyrrolidin-1-ylium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; hexafluoro-$l^{5}-phosphanuide; 1-[chloro(pyrrolidin-1-yl)methylidene]-1λ^5-pyrrolidin-1-ylium hexafluorophosphate; (1E)-1-[chloro(pyrrolidin-1-yl)methylidene]-1λ^5-pyrrolidin-1-ylium hexafluorophosphate
• 别名: N,N,N′,N′-双(四亚甲基)氯代甲酰胺六氟磷酸盐; 氯代-N,N,N′,N′-双(四亚甲基)甲酰胺六氟磷酸盐; 1-(氯-1-吡咯烷基亚甲基)吡咯烷鎓六氟磷酸盐; 双(四亚甲基)氯甲酰胺六氟磷酸盐; 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate; PyClU; N,N,N′,N′-Bis(tetramethylene)chloroformamidinium hexafluorophosphate; Chloro-N,N,N′,N′-bis(tetramethylene)formamidinium hexafluorophosphate; Chlorodipyrrolidinocarbenium hexafluorophosphate; Chlorodipyrrolidinocarbenium hexafluorophosphate; 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate

登记号

• CAS号: 135540-11-3
• MDL号: MFCD00191333
• Beilstein号: 7898575
• PubChem SID: 162079897; 24854379
• PubChem CID: 2736652

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.8953432
• LogD (pH = 7.4): -1.8953432
• Log P: -1.8953432
• 摩尔折射率: 63.5177 cm^3
• 极化性: 19.863277 Å^3
• 极化表面积: 6.25 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 153-156 °C; 153-156°C

安全信息

• 保存注意事项: Irritant; Moisture & Light Sensitive
• 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: 26-36; 26-37
• TSCA收录: 否
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (CHN); 98+%
• 线性分子式: C9H16N2Cl · PF6

详细说明

Sigma Aldrich - 23955

Other Notes
结晶的、不吸湿的新型肽偶联试剂，尤其适用于 N-甲基氨基酸5
包装
5 g in glass bottle
Application
Reactant for: Enantioselective desymmetrization of meso-asiridines1 Peptide coupling2Reagent for: Heterocyclization of chloroformamidinium salts3 Oxidative insertion for palladium and nickel catalyst synthesis4