- Dibenzo(b,def)chrysene
- DIBENZO(b,def)CHRYSENE-7,14-DIONE
- Dibenzo(b,def)chrysene-7-carboxaldehyde
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| Name |
Dibenzo(b,def)chrysene-7-carboxaldehyde |
EINECS | N/A |
| CAS No. | 63040-54-0 | Density | 1.365g/cm3 |
| PSA | 17.07000 | LogP | 6.70290 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H14O | Boiling Point | 606.9°Cat760mmHg |
| Molecular Weight | 330.39 | Flash Point | 419.9°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. See also ALDEHYDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Formyl-3,4:8,9-dibenzopyren;5-Formyl-3,4:8,9-dibenzopyrene; |
Dibenzo(b,def)chrysene-7-carboxaldehyde Chemical Properties
Molecule structure of Dibenzo(b,def)chrysene-7-carboxaldehyde (CAS NO.63040-54-0):
Molecular Weight: 330.37806 g/mol
Molecular Formula: C25H14O
Density: 1.365 g/cm3
Boiling Point: 606.9 °C at 760 mmHg
Flash Point: 419.9 °C
Index of Refraction: 1.927
Molar Refractivity: 114.9 cm3
Molar Volume: 241.8 cm3
Polarizability: 45.55×10-24 cm3
Surface Tension: 71.1 dyne/cm
Enthalpy of Vaporization: 90.2 kJ/mol
Vapour Pressure: 1.12E-14 mmHg at 25 °C
XLogP3-AA: 6.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 330.104465
MonoIsotopic Mass: 330.104465
Topological Polar Surface Area: 17.1
Heavy Atom Count: 26
Complexity: 554
Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C6=CC=CC=C56)C=O)C=C3
InChI: InChI=1S/C25H14O/c26-14-23-19-8-4-3-7-18(19)21-10-9-16-13-15-5-1-2-6-17(15)20-11-12-22(23)25(21)24(16)20/h1-14H
InChIKey of Dibenzo(b,def)chrysene-7-carboxaldehyde (CAS NO.63040-54-0): SMNAQDLLFBJHTK-UHFFFAOYSA-N
Dibenzo(b,def)chrysene-7-carboxaldehyde Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
Dibenzo(b,def)chrysene-7-carboxaldehyde Specification
Dibenzo(b,def)chrysene-7-carboxaldehyde (CAS NO.63040-54-0) is also named as 4-07-00-01940 (Beilstein Handbook Reference) ; 5-Formyl-3,4:8,9-dibenzopyrene ; BRN 2594145 .
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