Cas no 62586-45-2 (benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate)
![benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate structure](https://ossimg.kuujia.com/scimg/63000/62586-45-2x500.png)
62586-45-2 structure
Product Name:benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate
CAS No:62586-45-2
MF:C28H20O8
MW:484.453608512878
CID:1638639
PubChem ID:188013
Update Time:2025-04-21
benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate Chemical and Physical Properties
Names and Identifiers
-
- benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate
- (4,5,6-triacetyloxybenzo[a]pyren-3-yl) acetate
- DTXSID10211620
- 62586-45-2
- Benzo(a)pyrenetetrol, tetraacetate
-
- Inchi： 1S/C28H20O8/c1-13(29)33-21-12-10-17-9-11-19-18-7-5-6-8-20(18)26(34-14(2)30)25-23(19)22(17)24(21)27(35-15(3)31)28(25)36-16(4)32/h5-12H,1-4H3
- InChI Key： XFNIUSYMHFPUOL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C2C=CC=CC=2C2=CC=C3C=CC(=C4C(=C(C=1C2=C43)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 484.1158
- Monoisotopic Mass: 484.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 36
- Rotatable Bond Count: 8
- Complexity: 900
- 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: 5.3
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.397
- Boiling Point: 688.6°C at 760 mmHg
- Flash Point: 294.6°C
- Refractive Index: 1.711
- PSA: 105.2
benzo[pqr]tetraphene-3,4,5,6-tetrayl tetraacetate Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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