Cas no 4514-19-6 (12-methylbenzo[pqr]tetraphene)
![12-methylbenzo[pqr]tetraphene structure](https://ossimg.kuujia.com/scimg/5000/4514-19-6x500.png)
12-methylbenzo[pqr]tetraphene structure
Product Name:12-methylbenzo[pqr]tetraphene
12-methylbenzo[pqr]tetraphene Chemical and Physical Properties
Names and Identifiers
-
- 12-methylbenzo[pqr]tetraphene
- benzo[a]pyrene, 12-methyl-
- 12-methylbenzo[a]pyrene
- 4514-19-6
- BENZO(a)PYRENE, 12-METHYL-
- BRN 2527206
- CCRIS 2445
- 12-Methylbenzo(a)pyrene
- DTXSID90196401
-
- Inchi： 1S/C21H14/c1-13-11-19-18-7-3-2-5-15(18)12-16-10-9-14-6-4-8-17(13)20(14)21(16)19/h2-12H,1H3
- InChI Key： FLMPDOQIFWNZJZ-UHFFFAOYSA-N
- SMILES： C12C3C=CC4=CC=CC(=C(C)C=C1C1C=CC=CC=1C=3)C=24
Computed Properties
- Exact Mass: 266.10962
- Monoisotopic Mass: 266.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 399
- 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
- XLogP3: 6.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.1340 (estimate)
- Melting Point: 176.91°C (estimate)
- Boiling Point: 509.54°C (rough estimate)
- Refractive Index: 1.8530 (estimate)
- PSA: 0
12-methylbenzo[pqr]tetraphene Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
4514-19-6 (12-methylbenzo[pqr]tetraphene) Related Products
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