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| Name |
5-Styryl-3,4-benzopyrene |
EINECS | N/A |
| CAS No. | 63019-73-8 | Density | 1.269g/cm3 |
| PSA | 0.00000 | LogP | 7.90760 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C28H18 | Boiling Point | 582.8°C at 760 mmHg |
| Molecular Weight | 354.46 | Flash Point | 303.5°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-Styryl-3,4-benzopyrene;BENZO(a)PYRENE,6-STYRYL; |
5-Styryl-3,4-benzopyrene Chemical Properties
Molecule structure of 5-Styryl-3,4-benzopyrene (CAS NO.63019-73-8) :
IUPAC Name: 6-[(E)-2-phenylethenyl]benzo[a]pyrene
Molecular Weight: 354.44252 g/mol
Molecular Formula: C28H18
Density: 1.269 g/cm3
Boiling Point: 582.8 °C at 760 mmHg
Flash Point: 303.5 °C
Molar Volume: 279.3 cm3
Polarizability: 50.62*10-24 cm3
Surface Tension: 63.4 dyne/cm
Enthalpy of Vaporization: 83.9 kJ/mol
Vapour Pressure: 5.8E-13 mmHg at 25 °C
XLogP3-AA: 8.6
Rotatable Bond Count: 2
Exact Mass: 354.140851
MonoIsotopic Mass: 354.140851
Heavy Atom Count: 28
Complexity: 569
Canonical SMILES: C1=CC=C(C=C1)C=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62
Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62
InChI: InChI=1S/C28H18/c1-2-7-19(8-3-1)13-16-24-22-11-4-5-12-23(22)25-17-14-20-9-6-10-21-15-18-26(24)28(25)27(20)21/h1-18H/b16-13+
InChIKey: FUSTYROFQLNAPQ-DTQAZKPQSA-N
Synonyms of 5-Styryl-3,4-benzopyrene (CAS NO.63019-73-8) : 6-Styrylbenzo[a]pyrene
5-Styryl-3,4-benzopyrene Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
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