1-(pyridin-4-yl)-1λ5-pyridin-1-ylium chloride hydrochloride

• ChemBase编号: 76874
• 分子式: C10H10Cl2N2
• 平均质量: 229.1058
• 单一同位素质量: 228.02210369
• SMILES: [n+]1(ccccc1)c1ccncc1.[Cl-].Cl
• Canonical SMILES: c1cc[n+](cc1)c1ccncc1.Cl.[Cl-]
• InChI: InChI=1S/C10H9N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h1-9H;2*1H/q+1;;/p-1
• InChIKey: QZOFFMRDIRXGKJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-(pyridin-4-yl)-1λ^5-pyridin-1-ylium chloride hydrochloride; 1-(pyridin-4-yl)-1$l^{5}-pyridin-1-ylium chloride hydrochloride
• IUPAC传统名: 1-(pyridin-4-yl)-1λ^5-pyridin-1-ylium chloride hydrochloride; 1-(pyridin-4-yl)-1$l^{5}-pyridin-1-ylium chloride hydrochloride
• 别名: 1-(4-吡啶基)吡啶氯 盐酸盐; [1,4'-Bipyridin]-1-ium chloride hydrochloride; 1-(4-PYRIDYL)PYRIDINIUM CHLORIDE HYDROCHLORIDE; 1-(4-Pyridyl)pyridinium chloride hydrochloride; 1-(Pyridin-4-yl)pyridinium chloride hydrochloride

登记号

• CAS号: 5421-92-1
• EC号: 226-543-5; 222-089-7
• MDL号: MFCD00012821
• Beilstein号: 3786515
• PubChem SID: 24888079; 162041776; 24898825
• PubChem CID: 79461

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.365769
• LogD (pH = 7.4): -1.3657689
• Log P: -1.3657689
• 摩尔折射率: 57.9965 cm^3
• 极化性: 19.064577 Å^3
• 极化表面积: 16.77 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 166-170 °C (dec.)(lit.); 179°C

安全信息

• 保存注意事项: Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 34; 36/37/38
• 安全公开号: 26-36/37/39-45; 26-37/39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H314; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305 + P351 + P338-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

产品相关信息

• 纯度: ≥85% (AT); 85%; 95+%
• 级别: technical; technical grade
• Empirical Formula (Hill Notation): C10H9ClN2 · HCl

详细说明

MP Biomedicals - 05218235

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P71517

包装
10 g in glass bottle