Basic Information | Post buying leads | Suppliers |
Name |
5-Formyl-8-methyl-3,4:9,10-dibenzopyrene |
EINECS | N/A |
CAS No. | 63040-56-2 | Density | 1.334g/cm3 |
PSA | 17.07000 | LogP | 7.01130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H16O | Boiling Point | 615°C at 760 mmHg |
Molecular Weight | 344.42 | Flash Point | 414.1°C |
Transport Information | N/A | Appearance | N/A |
Safety | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Formyl-8-methyl-3,4:9,10-dibenzo-pyren;5-Formyl-8-methyl-3,4:9,10-dibenzopyrene; |
Molecule structure of 5-Formyl-8-methyl-3,4:9,10-dibenzopyrene (CAS NO.63040-56-2):
Molecular Weight: 344.40464 g/mol
Molecular Formula: C26H16O
Density: 1.334 g/cm3
Boiling Point: 615 °C at 760 mmHg
Flash Point: 414.1 °C
Index of Refraction: 1.895
Molar Refractivity: 119.72 cm3
Molar Volume: 258.1 cm3
Polarizability: 47.46×10-24 cm3
Surface Tension: 67.5 dyne/cm
Enthalpy of Vaporization: 91.24 kJ/mol
Vapour Pressure: 4.66E-15 mmHg at 25 °C
XLogP3-AA: 7.1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 344.120115
MonoIsotopic Mass: 344.120115
Topological Polar Surface Area: 17.1
Heavy Atom Count: 27
Complexity: 583
Canonical SMILES: CC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C6=CC=CC=C16)C=O
InChI: InChI=1S/C26H16O/c1-15-16-6-2-3-7-18(16)21-12-13-22-19-8-4-5-9-20(19)24(14-27)23-11-10-17(15)25(21)26(22)23/h2-14H,1H3
InChIKey: MCGBHWDYRPGANM-UHFFFAOYSA-N
Classification Code of 5-Formyl-8-methyl-3,4:9,10-dibenzopyrene (CAS NO.63040-56-2): Tumor data
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
5-Formyl-8-methyl-3,4:9,10-dibenzopyrene (CAS NO.63040-56-2) is also named as 4-07-00-01941 (Beilstein Handbook Reference) ; 8-Methylbenzo(rst)pentaphene-5-carboxaldehyde ; BRN 2598235 ; Benzo(rst)pentaphene-5-carboxaldehyde, 8-methyl- .