2-chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 149509
• 分子式: C5H10ClF6N2P
• 平均质量: 278.5634802
• 单一同位素质量: 278.01743196
• SMILES: CN1CC[N+](=C1Cl)C.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN1CC[N+](=C1Cl)C
• InChI: InChI=1S/C5H10ClN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q+1;-1
• InChIKey: CNAKHAGVVMOXFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
• 别名: 2-氯-1,3-二甲基咪唑六氟磷酸盐; 2-Chloro-4,5-dihydro-1,3-dimethyl-1H-imidazolium hexafluorophosphate; CIP; 2-Chloro-1,3-dimethylimidazolidinium hexafluorophosphate; 2-Chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate(V); 2-Chloro-1,3-dimethylimidazolinium hexafluorophosphate

登记号

• CAS号: 101385-69-7
• MDL号: MFCD00191914
• Beilstein号: 5369058
• PubChem SID: 24866329; 24854636; 162243674
• PubChem CID: 16211675

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.878463
• LogD (pH = 7.4): -2.878463
• Log P: -2.878463
• 摩尔折射率: 46.4667 cm^3
• 极化性: 13.249006 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: acetonitrile: soluble0.1 g/mL, clear
• 熔点: 231-233 °C(lit.); 231-233°C

安全信息

• 保存注意事项: 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; 26-37-60
• 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-P501
• 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); 95+%; 98%
• 级别: purum
• Empirical Formula (Hill Notation): C5H10ClF6N2P

详细说明

Sigma Aldrich - 420336

包装
5 g in glass bottle
Application
Reactant for synthesis of: Diazo-transfer reagents1 Reagent for synthesis of: Cannabinoid CB1 receptor agonists2 Selective small-molecule melanocortin-4 receptor agonists3 Imidazoles as selective cannabinoid CB2 receptor antagonists4 Cyclic alpha-peptoids5 Cyclic melanotropin peptide analogues selective for the human melanocortin-4 receptor6

Sigma Aldrich - 24375

Other Notes
适用于大位阻氨基酸的肽偶联试剂，推荐使用 HOAt 添加剂7,8,9
Application
Reactant for synthesis of: Diazo-transfer reagents1 Reagent for synthesis of: Cannabinoid CB1 receptor agonists2 Selective small-molecule melanocortin-4 receptor agonists3 Imidazoles as selective cannabinoid CB2 receptor antagonists4 Cyclic alpha-peptoids5 Cyclic melanotropin peptide analogues selective for the human melanocortin-4 receptor6