[chloro(dimethylamino)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 94695
• 分子式: C5H12ClF6N2P
• 平均质量: 280.5793602
• 单一同位素质量: 280.03308202
• SMILES: [P-](F)(F)(F)(F)(F)F.N(C(=[N+](C)C)Cl)(C)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(C(=[N+](C)C)Cl)C
• InChI: InChI=1S/C5H12ClN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
• InChIKey: CUKNPSDEURGZCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [chloro(dimethylamino)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [chloro(dimethylamino)methylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: [chloro(dimethylamino)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [chloro(dimethylamino)methylidene]dimethylazanium hexafluorophosphate
• 别名: N,N,N′,N′-四甲基氯甲脒六氟磷酸盐; Bis(dimethylamino)chlorocarbenium hexafluorophosphate; N-[Chloro(dimethylamino)methylene]-N-methyl-methanaminium Hexafluorophosphate; Tetramethylchloroformamidinium Hexafluorophosphate; Chloro-N,N,N',N'-tetramethyl-formamidinium Hexafluorophosphate; TCFH; Chloro-N,N,N′,N′-tetramethylformamidinium hexafluorophosphate

登记号

• CAS号: 94790-35-9; 207915-99-9
• MDL号: MFCD08275276; MFCD01862891
• Beilstein号: 7896715
• PubChem SID: 24846375; 162081349
• PubChem CID: 10989639

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.706938
• LogD (pH = 7.4): -2.706938
• Log P: -2.706938
• 摩尔折射率: 48.4357 cm^3
• 极化性: 13.962763 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

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 100-106 °C; 92-99°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Irritant
• 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
• 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
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (T)
• Empirical Formula (Hill Notation): C5H12ClF6N2P

详细说明

Sigma Aldrich - 09658

Other Notes
用于肽合成的偶联剂以及制备其他偶联剂的原料5,6
Application
Reactant for: Synthesis of onium salts for use in peptide coupling1 Synthesis of safer replacement for coupling reagents2Reagent for: Synthesis of cancer cell cytotoxins3 Synthesis of bioconjugation reagent4

Toronto Research Chemicals - C400030

Coupling reagent for peptide synthesis and starting material for preparing other coupling reagents.