Cas no 13312-42-0 (Benzo[a]pyrene-6-carboxaldehyde)
![Benzo[a]pyrene-6-carboxaldehyde structure](https://ossimg.kuujia.com/scimg/13500/13312-42-0x500.png)
13312-42-0 structure
Product Name:Benzo[a]pyrene-6-carboxaldehyde
Benzo[a]pyrene-6-carboxaldehyde Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene-6-carboxaldehyde
- 6-FORMYLBENZO(A)PYRENE
- benzo[b]pyrene-6-carbaldehyde
- BENZO(A)PYRENE-6-CARBOXALDEHYDE
- benzo[pqr]tetraphene-6-carbaldehyde
- Benzo[a]pyrene-6-carbaldehyde
- 13312-42-0
- BRN 2126623
- 3-07-00-02901 (Beilstein Handbook Reference)
- JYHGZHPGIQQNJP-UHFFFAOYSA-N
- 3,4-Benzpyrene-5-aldehyde
- benzo[a]pyrene 6-aldehyde
- 6-Benzo(a)pyrenecarboxaldehyde
- DTXSID50157972
- SCHEMBL548870
-
- Inchi： 1S/C21H12O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H
- InChI Key： JYHGZHPGIQQNJP-UHFFFAOYSA-N
- SMILES： O=CC1C2C=CC=CC=2C2=CC=C3C=CC=C4C=CC=1C2=C34
Computed Properties
- Exact Mass: 280.08886
- Monoisotopic Mass: 280.088815
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 443
- 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: 17.1
- XLogP3: 5.7
Experimental Properties
- Density: 1.0970 (rough estimate)
- Boiling Point: 383.04°C (rough estimate)
- Flash Point: 362.7°C
- Refractive Index: 1.4880 (estimate)
- PSA: 17.07
Benzo[a]pyrene-6-carboxaldehyde Related Literature
-
1. Synthesis and properties of 6-substituted benzo[a]pyrene derivativesF. Dewhurst,D. A. Kitchen J. Chem. Soc. Perkin Trans. 1 1972 710
13312-42-0 (Benzo[a]pyrene-6-carboxaldehyde) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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