2,6-dibromopyridine

• ChemBase编号: 13786
• 分子式: C5H3Br2N
• 平均质量: 236.89202
• 单一同位素质量: 234.8632231
• SMILES: c1c(nc(cc1)Br)Br
• Canonical SMILES: Brc1cccc(n1)Br
• InChI: InChI=1S/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: FEYDZHNIIMENOB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dibromopyridine
• IUPAC传统名: pyridine, 2,6-dibromo-
• 别名: 2,6-二溴吡啶; 2,6-Dibromopyridine; 2,6-Dibromopyridine

登记号

• CAS号: 626-05-1
• EC号: 210-926-9
• MDL号: MFCD00006223
• Beilstein号: 108922
• PubChem SID: 160977093; 24861142; 24893860
• PubChem CID: 12274

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.7041225
• LogD (pH = 7.4): 2.7041228
• Log P: 2.7041228
• 摩尔折射率: 40.8311 cm^3
• 极化性: 15.521076 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

• 外观: white crystal
• 熔点: 117-119 °C; 117-119 °C(lit.); 117-120°C; 118-119°C
• 沸点: 255°C; 255°C
• 闪点: >100 °C; >100°C; >212 °F; 213°C(415°F)

安全信息

• 保存注意事项: IRRITANT; Very Toxic/Irritant/Light Sensitive/Store under Argon
• RTECS编号: US7883000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 剧毒(Highly toxic) (T+); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 20/21-25-36/38-52/53; 28-36/37/38-52; 36/37/38; R:36/37/38
• 安全公开号: 26-28-36/37-45; 26-36/37-45-61; 26-37/39; S:20-25-26-37/39
• TSCA收录: false; 否
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H300-H312-H332-H315-H319-H402-H412; H300-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P264-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 纯度: ≥97.0% (GC); 97%; 98%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C5H3Br2N

详细说明

MP Biomedicals - 05204201

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D43115

包装
25, 100 g in glass bottle

参考文献

• Treatment with 4 moles of n-BuLi in ether at -60^o, followed by reaction with PCl₃ at -40^o, provides a useful one-pot synthesis of 6,6"-dibromo-2,2':6',2"-terpyridine, which has applications as a tridentate chelating ligand and in the formation of macrocycles containing the terpyridine moiety: Synthesis, 939 (1995).