pentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

• ChemBase编号: 126086
• 分子式: C20H12
• 平均质量: 252.30928
• 单一同位素质量: 252.09390038
• SMILES: c1ccc2cc3c(cc2c1)c1cccc2c1c3ccc2
• Canonical SMILES: c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2
• InChI: InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
• InChIKey: HAXBIWFMXWRORI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentacyclo[10.7.1.0^2,^1^1.0^4,^9.0^1^6,^2^0]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
• IUPAC传统名: benzo[k]fluoranthene
• 别名: 苯并[k]荧蒽; 苯并[k]荧蒽 溶液; Benzo[k]fluoranthene; Benzo(k)fluoranthene; Benzo[k]fluoranthene solution

登记号

• CAS号: 207-08-9
• EC号: 200-838-9; 203-806-2; 205-916-6
• MDL号: MFCD00046287
• Beilstein号: 1873745
• PubChem SID: 24872195; 162220427; 24862987; 24847631; 24892167; 24864439; 24864946; 24872001
• PubChem CID: 9158
• Chemspider ID: 8804
• KEGG ID: C14321
• 维基百科标题: Benzo(k)fluoranthene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.273404
• LogD (pH = 7.4): 5.273404
• Log P: 5.273404
• 摩尔折射率: 83.1728 cm^3
• 极化性: 37.737766 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: : 95% ethanol <1 mg/mL at 20 °C; : DMSO <1 mg/mL at 20 °C; : methanol <1 mg/mL at 20 °C; : toluene5-10 mg/mL at 20 °C; acetone: soluble1-10 mg/mL at 20 °C; DMSO: <1 mg/mL at 20 °C; H2O: <1 mg/mL at 20 °C
• 外观: Yellow crystals
• 熔点: 215-217 °C; 215-217 °C(lit.); 217°C
• 闪点: -.4 °F; 1 °F; -17 °C; -18 °C; 228.6°C (443.48°F)
• 密度: 1.286 g/cm^3
• 荧光: λex 306 nm; λem 411 nm in acetonitrile: water (1:1)

安全信息

• RTECS编号: DF6350000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1090; 1145; 1593; 2811; 3077
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 6.1; 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; 45-11-36-66-67; 45-50/53
• 安全公开号: 23-24/25-36/37; 53.1-26-45; 53-45-60-61; 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; H350-H410; H351
• GHS警示性声明: P201-P273-P308 + P313-P501; P210-P261-P273-P301 + P310-P331-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; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1090 3/PG 2; UN 1145 3/PG 2; UN 1593 6.1/PG 3; UN 2811 6.1/PG 3; UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99%; ≥99.0% (GC)
• 浓度: 100 ng/μL in cyclohexane; 1000 μg/mL in acetone; 200 μg/mL in methylene chloride
• 级别: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material; certified reference material; for fluorescence; puriss.; TraceCERT®
• 包装: ampule of 1 mL; ampule of 50 mg
• Empirical Formula (Hill Notation): C20H12

详细说明

Sigma Aldrich - 392251

包装
100 mg in glass bottle

Sigma Aldrich - BCR048R

法律信息
BCR 注册商标 European Commission

Sigma Aldrich - 03323

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 12488

Analysis Note
In addition to the emission maximum at 411 nm, there are lower maxima at 435 and 460 nm.
Application
Non-carcinogenic standard in environmental research