N-bromoacetamide

• ChemBase编号: 155496
• 分子式: C2H4BrNO
• 平均质量: 137.96326
• 单一同位素质量: 136.94762575
• SMILES: CC(=O)NBr
• Canonical SMILES: CC(=O)NBr
• InChI: InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5)
• InChIKey: VBTQNRFWXBXZQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-bromoacetamide
• IUPAC传统名: acetamide, N-bromo-
• 别名: N-溴乙酰胺; NBA; N-Bromoacetamide

登记号

• CAS号: 79-15-2
• EC号: 201-181-0
• MDL号: MFCD00037097
• Beilstein号: 969346
• 默克索引号: 141398
• PubChem SID: 162249634; 24278260
• PubChem CID: 4353

理论计算性质

• Acid pKa: 10.124095
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.1180301
• LogD (pH = 7.4): -0.118746474
• Log P: -0.11802096
• 摩尔折射率: 22.4011 cm^3
• 极化性: 8.760016 Å^3
• 极化表面积: 29.1 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 to yellow powder
• 熔点: 102-106°C

安全信息

• 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: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P303+P361+P353-P305+P351+P338-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: 95%
• 线性分子式: CH3CONHBr

详细说明

Sigma Aldrich - B2377

Application
Abolishes the rapid inactivation of membrane sodium- and potassium-ion channels.1

参考文献

• In combination with AgOAc and AcOH, has been used to convert alkenes stereoselectively to cis-1,2-diols: Tetrahedron Lett., 1581 (1976).
• Source of positive bromine, useful for the conversion of alkenes to bromohydrins under mild conditions: Helv. Chim. Acta, 26, 562, 746, 1799 (1943); Tetrahedron Lett., 765 (1973). It is also a useful reagent for mild oxidation of secondary alcohols to ketones: J. Biol. Chem., 184, 393 (1950); J. Am. Chem. Soc., 76, 3682 (1954); 85, 1409 (1963).