1-(4-azidophenyl)-2-bromoethan-1-one

• ChemBase编号: 103035
• 分子式: C8H6BrN3O
• 平均质量: 240.05674
• 单一同位素质量: 238.96942383
• SMILES: BrCC(=O)c1ccc(cc1)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=Nc1ccc(cc1)C(=O)CBr
• InChI: InChI=1S/C8H6BrN3O/c9-5-8(13)6-1-3-7(4-2-6)11-12-10/h1-4H,5H2
• InChIKey: LZJPDRANSVSGOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-azidophenyl)-2-bromoethan-1-one
• IUPAC传统名: 1-(4-azidophenyl)-2-bromoethanone
• 别名: 4-叠氮-α-溴苯乙酮; 4′-叠氮-2-溴苯乙酮; 4-叠氮苯甲酰甲基溴; 4′-Azido-2-bromoacetophenone; 4-Azido-α-bromoacetophenone; 4-Azidophenacyl bromide; 1-(4-Azidophenyl)-2-bromo-ethanone; p-Azidophenacyl Bromide; 4'-Azido-2-bromoacetophenone; 4-Azido-α-bromoacetophenone; 4-AZIDOPHENACYL BROMIDE

登记号

• CAS号: 57018-46-9
• EC号: 260-519-5
• MDL号: MFCD00042637
• Beilstein号: 1961705
• PubChem SID: 162090260
• PubChem CID: 92627

理论计算性质

• Acid pKa: 15.414706
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5600564
• LogD (pH = 7.4): 2.5600564
• Log P: 2.674102
• 摩尔折射率: 54.4851 cm^3
• 极化性: 19.15414 Å^3
• 极化表面积: 46.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Ethyl Acetate; Methanol
• 外观: Off-White to Pale Yellow Solid
• 熔点: 64-65 °C; 68-70°C

安全信息

• 保存条件: 0°C, Protect from light; -20°C Freezer, Under Inert Atmosphere
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1325
• 德国WGK号: 3
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-34-42/43; R:36
• 安全公开号: 16-26-27-36/37/39-45; S:26
• GHS危险品标识: GHS02; GHS05; GHS08
• GHS警示词: Danger
• GHS危险声明: H228-H314-H317-H334
• GHS警示性声明: P210-P261-P280-P305 + P351 + P338-P310
• 个人保护装置: 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
• RID/ADR: UN 1325 4.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C8H6BrN3O

详细说明

MP Biomedicals - 02150410

Versatile new photolabile bifunctional reagent which was successfully used in binding studies (Ribosome-t-RNA).

Sigma Aldrich - 11550

Other Notes
通用的光敏双官能试剂，用于制备酶的光亲和标记1,2,3

Toronto Research Chemicals - A920000

A versatile photolabile bifunctional reagent. Useful for investigating the active sites of sulfhydryl enzymes-particularly those which posess a particularly reactive cysteine residue at the active site. Used to study the nature of the ribosomal bindin

参考文献

• Schwarz, I., Ofengand, Proc. Nat. Acad. Sci. USA , 71 : 230, (1974)
• Hixson, S.S. Hixon, S.H., Photochem. Photobiol. , 18 : 135, (1973).
• Schwartz, I., et al.: Proc. Natl. Acad. Sci. USA, 71, 230 (1974)