Product Name

  • Name

    4-Pyrenyloxirane

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

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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