2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene

• ChemBase编号: 75102
• 分子式: C24H32O8
• 平均质量: 448.50608
• 单一同位素质量: 448.20971798
• SMILES: O1CCOCCOc2c(cccc2)OCCOCCOCCOc2c(cccc2)OCC1
• Canonical SMILES: C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)cccc2
• InChI: InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2
• InChIKey: UNTITLLXXOKDTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^1^2,^1^7]dotriaconta-1(32),12,14,16,28,30-hexaene; 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^{12,17}]dotriaconta-1(28),12(17),13,15,29,31-hexaene; 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^1^2,^1^7]dotriaconta-1(28),12(17),13,15,29,31-hexaene
• IUPAC传统名: 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^1^2,^1^7]dotriaconta-1(32),12,14,16,28,30-hexaene; 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^{12,17}]dotriaconta-1(28),12(17),13,15,29,31-hexaene; 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^1^2,^1^7]dotriaconta-1(28),12(17),13,15,29,31-hexaene
• 别名: 2,3,14,15-二苯并-1,4,7,10,13,16,19,22-八氧环二十四-2,14-二烯; 二苯并-24-冠醚-8; 6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenz[b,n]-1,4,7,10,13,16,19,22-octaoxacyclotetracosane; 2,3,14,15-Dibenzo-1,4,7,10,13,16,19,22-octaoxacyclotetracosa-2,14-diene; Dibenzo-24-crown-8; Dibenzo-24-crown-8-ether; 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

登记号

• CAS号: 14174-09-5
• EC号: 238-027-7
• MDL号: MFCD00005101
• Beilstein号: 1693744
• PubChem SID: 24855301; 162040020
• PubChem CID: 84238

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 2.7848547
• LogD (pH = 7.4): 2.7848547
• Log P: 2.7848547
• 摩尔折射率: 118.2048 cm^3
• 极化性: 46.809666 Å^3
• 极化表面积: 73.84 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

• 熔点: 103-105 °C(lit.); 103-107 °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
• 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: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (UV); 98%
• 级别: purum
• Empirical Formula (Hill Notation): C24H32O8

详细说明

Sigma Aldrich - 253197

包装
1, 5 g in glass bottle

Sigma Aldrich - 33539

Other Notes
阳离子大环络化剂1