4-dodecylbenzene-1-sulfonyl azide

• ChemBase编号: 143447
• 分子式: C18H29N3O2S
• 平均质量: 351.50676
• 单一同位素质量: 351.19804818
• SMILES: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)N=[N+]=[N-]
• Canonical SMILES: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)N=[N+]=[N-]
• InChI: InChI=1S/C18H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)24(22,23)21-20-19/h13-16H,2-12H2,1H3
• InChIKey: DYEGEQTYEIHCSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-dodecylbenzene-1-sulfonyl azide
• IUPAC传统名: 4-dodecylbenzenesulfonyl azide
• 别名: 4-十二烷基苯磺酰叠氮; 4-Dodecylbenzenesulfonyl azide

登记号

• CAS号: 79791-38-1
• MDL号: MFCD00274161
• PubChem SID: 162237666
• PubChem CID: 10915143

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.513792
• LogD (pH = 7.4): 6.513792
• Log P: 6.627838
• 摩尔折射率: 98.4252 cm^3
• 极化性: 38.73464 Å^3
• 极化表面积: 63.57 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: >110 °C; >230 °F
• 密度: 1.051 g/mL at 25 °C
• 折射率: n20/D 1.510

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/22-36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H332-H335
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• Empirical Formula (Hill Notation): C18H29N3O2S

详细说明

Sigma Aldrich - 722154

包装
25, 100 g in glass bottle
Application
Reactant or reagent for synthesis of:
• Positron emission tomography ligand for imaging metabotropic glutamate receptor type 11
• Stitching agent for introduction of aziridines into functionalized organic molecules2
• Parenteral cephalosporins3Reagent for:
• Intermolecular metal-catalyzed carbenoid cyclopropanations4
• Solid-phase synthesis of indolecarboxylates using palladium catalyzed reactions5
• Solid-phase rhodium carbenoid N-H insertion reactions6