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

• ChemBase编号: 94989
• 分子式: C5H12F7N2P
• 平均质量: 264.1247634
• 单一同位素质量: 264.06263256
• SMILES: N(C(=[N+](C)C)F)(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(C(=[N+](C)C)F)C
• InChI: InChI=1S/C5H12FN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
• InChIKey: ZAVXOOLKAGPJPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: [(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [(dimethylamino)(fluoro)methylidene]dimethylazanium hexafluorophosphate
• 别名: 四甲基氟代脲六氟磷酸酯; Fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate (TFFH); TFFH; Fluoro-N,N,N′,N′-tetramethylformamidinium hexafluorophosphate

登记号

• CAS号: 164298-23-1
• MDL号: MFCD02684443
• PubChem SID: 162081640; 24874106; 24871000
• PubChem CID: 2774761

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.9945273
• LogD (pH = 7.4): -2.9945273
• Log P: -2.9945273
• 摩尔折射率: 43.8007 cm^3
• 极化性: 11.833114 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: 104-109 °C(lit.)

安全信息

• 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: ≥99.0% (19F-NMR); 97%
• 级别: puriss.
• 线性分子式: [FC[=N(CH3)2]N(CH3)2]PF6

详细说明

Apollo Scientific Ltd - PC2706

Fluorinating Reagent

Sigma Aldrich - 520330

包装
1, 5 g in glass bottle
Application
Reagent for synthesis of: Cationic antimicrobial β-2,2-amino acid derivatives1 Philanthotoxin analogues for inhibition of the ionotropic glutamate receptor2 Small β-peptidomimetics for antimicrobials3 Amine prodrugs of selective neuronal nitric oxide synthase inhibitors4Reagent for: Selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors5 Hydrazone ligation to assemble multifunctional viral nanoparticles6

Sigma Aldrich - 47440

Other Notes
用于制备 Fmoc-氨基酸氟化物（无外消旋作用）7,8
Application
Reagent for synthesis of: Cationic antimicrobial β-2,2-amino acid derivatives1 Philanthotoxin analogues for inhibition of the ionotropic glutamate receptor2 Small β-peptidomimetics for antimicrobials3 Amine prodrugs of selective neuronal nitric oxide synthase inhibitors4Reagent for: Selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors5 Hydrazone ligation to assemble multifunctional viral nanoparticles6