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73529-24-5

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Basic Information
CAS No.: 73529-24-5
Name: 4-Pyrenyloxirane
Molecular Structure:
Molecular Structure of 73529-24-5 (4-Pyrenyloxirane)
Formula: C18H12 O
Molecular Weight: 244.293
Synonyms: Oxirane,4-pyrenyl- (9CI)
Density: 1.349g/cm3
Boiling Point: 452.4°C at 760 mmHg
Flash Point: 215.1°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 12.53000
LogP: 4.65530
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Chemistry

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

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.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 4-Pyrenyloxirane (CAS NO.73529-24-5) is also named as BRN 4449634 ; Pyrene, 4-epoxyethyl- ; Oxirane, 4-pyrenyl- .