hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene

• ChemBase编号: 156198
• 分子式: C24H14
• 平均质量: 302.36796
• 单一同位素质量: 302.10955045
• SMILES: c1ccc2c(c1)cc1ccc3cccc4c3c1c2c1c4cccc1
• Canonical SMILES: c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3
• InChI: InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
• InChIKey: JNTHRSHGARDABO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexacyclo[10.10.2.0^2,^7.0^8,^2^4.0^1^5,^2^3.0^1^7,^2^2]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
• IUPAC传统名: dibenzo(a,l)pyrene
• 别名: 二苯并[a,l]嵌二萘（纯）; Dibenzo[a,l]pyrene; 1,2,9,10-Dibenzopyrene; 1,2:3,4-Dibenzopyrene; Dibenzo[a,l]pyrene; 2,3:4,5-Dibenzpyrene; DBC; 4,5,6,7-Dibenzpyrene; Ba 51-090462; NSC 90324; Dibenzo[def,p]chrysene

登记号

• CAS号: 191-30-0
• MDL号: MFCD00467035
• Beilstein号: 2054068
• PubChem SID: 24892183; 162250336
• PubChem CID: 9119

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.262881
• LogD (pH = 7.4): 6.262881
• Log P: 6.262881
• 摩尔折射率: 99.623 cm^3
• 极化性: 45.453564 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Yellow Solid
• 熔点: 160-162°C

安全信息

• 保存条件: Refrigerator
• 保存温度: 2-8°C

产品相关信息

• 级别: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C24H14

详细说明

Sigma Aldrich - BCR096

法律信息
BCR 注册商标 European Commission

Toronto Research Chemicals - D416945

An active metabolite from inhalation and dermal exposure to polycyclic aromatics hydrocarbons in hot mix asphalt paving workers. DBC is the most potent tumorigen that has been identified to date. Dibenzo[def,p]chrysene (DBC) is a carcinogen and should be

参考文献

• Anderson, L., et al.: Toxicol. Appl. Pharmacol., 199, 85 (2004)
• Yu, Z., et al.: Cancer Res., 66, 755 (2004)
• Shen, J., et al.: Toxicol. Sci., 95, 313 (2004)