2,5-dibromopyridine

• ChemBase编号: 11749
• 分子式: C5H3Br2N
• 平均质量: 236.89202
• 单一同位素质量: 234.8632231
• SMILES: c1(cnc(cc1)Br)Br
• Canonical SMILES: Brc1ccc(cn1)Br
• InChI: InChI=1S/C5H3Br2N/c6-4-1-2-5(7)8-3-4/h1-3H
• InChIKey: ZHXUWDPHUQHFOV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dibromopyridine
• IUPAC传统名: 2,5-dibromopyridine
• 别名: 2,5-二溴吡啶; 2,5-Dibromo-pyridine; 3,6-Dibromopyridine; NSC 76597; 2,5-Dibromopyridine; 2,5-Dibromopyridine

登记号

• CAS号: 2108-39-6; 624-28-2
• EC号: 210-839-6
• MDL号: MFCD00006221
• Beilstein号: 109099
• PubChem SID: 24861137; 160975056; 24893859
• PubChem CID: 69353

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.4986
• LogD (pH = 7.4): 2.4986007
• Log P: 2.4986007
• 摩尔折射率: 39.9889 cm^3
• 极化性: 15.4763775 Å^3
• 极化表面积: 12.89 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: Chloroform,
• 外观: Off-White Crystals
• 熔点: 75-78°C; 92-95 °C; 92-95 °C(lit.); 92-95°C; 92-96°C; 93-94°C
• 沸点: 235°C; 249°C

安全信息

• 保存注意事项: IRRITANT; Irritant/Light Sensitive/Store under Argon
• 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: 26-37; 26-37/39
• TSCA收录: false; 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

产品相关信息

• 纯度: ≥97.0% (GC); 97%; 98%
• 级别: technical
• Empirical Formula (Hill Notation): C5H3Br2N

详细说明

Sigma Aldrich - D43107

包装
10 g in glass bottle

参考文献

• In a detailed study of conditions for monolithiation with n-BuLi, it was found that coordinating solvents, e.g. ether, and high concentrations favor 5-substitution, while non-coordinating sovents, e.g. toluene, and lower concentrations favor 2-substitution. At -78^o C in toluene, good yields of various 2-substituted 5-bromopyridines were obtained: Tetrahedron Lett., 41, 335 (2000).