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| Name |
4-Pyrenyloxirane |
EINECS | N/A |
| CAS No. | 73529-24-5 | Density | 1.349g/cm3 |
| PSA | 12.53000 | LogP | 4.65530 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H12 O | Boiling Point | 452.4°C at 760 mmHg |
| Molecular Weight | 244.293 | Flash Point | 215.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Oxirane,4-pyrenyl- (9CI) |
4-Pyrenyloxirane Chemical Properties
Molecule structure of 4-Pyrenyloxirane (CAS NO.73529-24-5):
IUPAC Name: 2-Pyren-4-yloxirane
Molecular Weight: 244.28728 g/mol
Molecular Formula: C18H12O
Density: 1.349 g/cm3
Boiling Point: 452.4 °C at 760 mmHg
Flash Point: 215.1 °C
Index of Refraction: 1.859
Molar Refractivity: 81.48 cm3
Molar Volume: 181 cm3
Polarizability: 32.3×10-24 cm3
Surface Tension: 68.3 dyne/cm
Enthalpy of Vaporization: 68.43 kJ/mol
Vapour Pressure: 6.01E-08 mmHg at 25 °C
XLogP3-AA: 4.5
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 244.088815
MonoIsotopic Mass: 244.088815
Topological Polar Surface Area: 12.5
Heavy Atom Count: 19
Complexity: 365
Canonical SMILES: C1C(O1)C2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4
InChI: InChI=1S/C18H12O/c1-3-11-7-8-12-4-2-6-14-15(16-10-19-16)9-13(5-1)17(11)18(12)14/h1-9,16H,10H2
InChIKey of 4-Pyrenyloxirane (CAS NO.73529-24-5): ZPLRRRIERPCHAT-UHFFFAOYSA-N
4-Pyrenyloxirane Toxicity Data With Reference
| 1. | mmo-sat 100 pmol/plate | CNREA8 Cancer Research. 40 (1980),642. | ||
| 2. | msc-ham:lng 1 µmol/L | CNREA8 Cancer Research. 40 (1980),642. |
4-Pyrenyloxirane Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
4-Pyrenyloxirane Specification
4-Pyrenyloxirane (CAS NO.73529-24-5) is also named as BRN 4449634 ; Pyrene, 4-epoxyethyl- ; Oxirane, 4-pyrenyl- .
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