11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane

• ChemBase编号: 140561
• 分子式: C11H6F17N3
• 平均质量: 503.1582944
• 单一同位素质量: 503.02902695
• SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H6F17N3/c12-4(13,2-1-3-30-31-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2
• InChIKey: GYAWTXGPAGMMFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
• IUPAC传统名: 11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
• 别名: 11-叠氮基-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟十一烷; 1H,1H,2H,2H,3H,3H-全氟十一烷基叠氮化物; 3-(全氟辛基)丙基叠氮化物; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基叠氮化物; 11-Azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane; 1H,1H,2H,2H,3H,3H-Perfluoroundecyl azide; 3-(Perfluorooctyl)propyl azide; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl azide

登记号

• CAS号: 852527-61-8
• MDL号: MFCD09265211
• PubChem SID: 24890384; 162234805
• PubChem CID: 11386544

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.395938
• LogD (pH = 7.4): 6.395938
• Log P: 6.5099835
• 摩尔折射率: 62.3003 cm^3
• 极化性: 23.21749 Å^3
• 极化表面积: 29.43 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

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
• 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
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥97.0%
• Empirical Formula (Hill Notation): C11H6F17N3

详细说明

Sigma Aldrich - 97087

包装
5, 25 mg in glass bottle
Legal Information
Fluorous Technologies, Inc. 产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 和 6,673,539 的保护。