hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

• ChemBase编号: 126084
• 分子式: C22H12
• 平均质量: 276.33068
• 单一同位素质量: 276.09390038
• SMILES: c1cc2ccc3ccc4ccc5cccc6c5c4c3c2c6c1
• Canonical SMILES: c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2
• InChI: InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
• InChIKey: GYFAGKUZYNFMBN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexacyclo[12.8.0.0^2,^1^1.0^3,^8.0^4,^2^1.0^1^7,^2^2]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene; hexacyclo[12.8.0.0^2,^1^1.0^3,^8.0^4,^2^1.0^1^7,^2^2]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
• IUPAC传统名: hexacyclo[12.8.0.0^2,^1^1.0^3,^8.0^4,^2^1.0^1^7,^2^2]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene; benzo(ghi)perylene
• 别名: 苯并[ghi]苝 溶液; 1,12-苯并苝; 苯并[ghi]苝; Benzo[ghi]perylene solution; 1,12-Benzperylene; NSC 89275; Benzo[ghi]perylene; Benzo(ghi)perylene; 1,12-Benzoperylene; Benzo[ghi]perylene

登记号

• CAS号: 191-24-2
• EC号: 200-838-9; 205-883-8; 203-806-2
• MDL号: MFCD00004135
• Beilstein号: 1913029
• PubChem SID: 24872000; 24872193; 24847779; 24892113; 162220425; 24892170; 24862985; 24891912
• PubChem CID: 9117
• Chemspider ID: 8763
• KEGG ID: C14318
• 维基百科标题: Benzo(ghi)perylene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.6051326
• LogD (pH = 7.4): 5.6051326
• Log P: 5.6051326
• 摩尔折射率: 90.937 cm^3
• 极化性: 42.00849 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

• 外观: solid
• 熔点: 276-279 °C; 277-279 °C(lit.); 278°C
• 沸点: >500 °C(lit.); 500°C
• 闪点: -.4 °F; -18 °C; 247.2 °C
• 密度: 1.378 g/cm^3

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1145; 3077
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 9
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-38-50/53-65-67; 40; 50/53
• 安全公开号: 23-24/25-36/37; 60-61; 9-16-25-33-60-61-62
• GHS危险品标识: GHS02; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H304-H315-H336-H410; H351; H410
• GHS警示性声明: P210-P261-P273-P301 + P310-P331-P501; P273-P501; P281
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); 98%
• 浓度: 100 ng/μL in cyclohexane; 200 μg/mL in methylene chloride
• 级别: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material; purum
• 包装: ampule of 1 mL; ampule of 25 mg
• Empirical Formula (Hill Notation): C22H12

详细说明

Sigma Aldrich - B9009

Application
n 沟道有机半导体。1
包装
5, 25, 100 mg in glass bottle

Sigma Aldrich - BCR052

法律信息
BCR 注册商标 European Commission

Toronto Research Chemicals - B207700

Benzo[ghi]perylene is one of the polycyclic aromatic hydrocarbons (PAH’s), an environmental pollutant with potential carcinogenic activity.

参考文献

• Alves, C., et al.: Atmos. Environ., 35, 5485 (2001)
• Jaward, F., et al.: Environ. Sci. Technol., 38, 2523 (2001)
• Lee, R., et al.: Environ. Sci. Technol., 39, 1436 (2001)
• Augusto, S., et al.: Environ. Pollut., 158, 483 (2001)