Cas no 21248-01-1 (Benzo[a]pyrene,6-chloro-)
![Benzo[a]pyrene,6-chloro- structure](https://ossimg.kuujia.com/scimg/21500/21248-01-1x500.png)
Benzo[a]pyrene,6-chloro- structure
Product Name:Benzo[a]pyrene,6-chloro-
Benzo[a]pyrene,6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,6-chloro-
- 6-Chlorobenzo[a]pyrene
- 6-Chlorobenzo[a]pyrene50μg
- MFCD01662880
- BRN 2464084
- Benzo[a]pyrene, 6-chloro-
- 6-Chlorobenzo(a)pyrene
- SY297988
- DTXSID50175494
- 3-05-00-02520 (Beilstein Handbook Reference)
- 6-Chlorobenzeno(a)pyrene
- BENZO(a)PYRENE, 6-CHLORO-
- 6-Chlorobenzo[pqr]tetraphene
- 21248-01-1
-
- Inchi： 1S/C20H11Cl/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H
- InChI Key： YBIBTKJSLUJSSJ-UHFFFAOYSA-N
- SMILES： ClC1C2C=CC=CC=2C2=CC=C3C=CC=C4C=CC=1C2=C34
Computed Properties
- Exact Mass: 286.05503
- Monoisotopic Mass: 286.054928
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 405
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 6.9
Experimental Properties
- Density: 1.1533 (rough estimate)
- Melting Point: 209.5°C
- Boiling Point: 369.01°C (rough estimate)
- Flash Point: 243.7°C
- Refractive Index: 1.6281 (estimate)
- PSA: 0
Benzo[a]pyrene,6-chloro- Related Literature
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1. Synthesis and properties of 6-substituted benzo[a]pyrene derivativesF. Dewhurst,D. A. Kitchen J. Chem. Soc. Perkin Trans. 1 1972 710
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Yun Fan,Haijun Zhang,Dan Wang,Meihui Ren,Xueping Zhang,Longxing Wang,Jiping Chen Anal. Methods 2017 9 5198
-
Chuxuan Zhao,Chengxin Li,Chu Wang,Yingming Li,Ruiqiang Yang,Qinghua Zhang,Guibin Jiang Anal. Methods 2022 14 1430
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