Product Name

  • Name

    1-pyrenyloxirane

  • EINECS
  • CAS No. 61695-74-7
  • Article Data2
  • CAS DataBase
  • Density 1.349g/cm3
  • Solubility
  • Melting Point 67-68 °C(Solv: ethanol (64-17-5))
  • Formula C18H12 O
  • Boiling Point 452.4°C at 760 mmHg
  • Molecular Weight 244.293
  • Flash Point 215.1°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 61695-74-7 (1-pyrenyloxirane)
  • Hazard Symbols
  • Synonyms Oxirane,1-pyrenyl- (9CI); Oxirane, 1-pyrenyl-, (?à)-; 1-Oxiranylpyrene; 1-Pyrenyloxirane; NSC 289903
  • PSA 12.53000
  • LogP 4.65530

1-Oxiranylpyrene Chemical Properties

Product Name: 1-Oxiranylpyrene (CAS NO.61695-74-7)


Molecular Formula: C18H12O
Molecular Weight: 244.30g/mol
Mol File: 61695-74-7.mol
Boiling point: 452.4 °C at 760 mmHg
Flash Point: 215.1 °C
Density: 1.349 g/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 Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 1-Oxiranylpyrene (CAS NO.61695-74-7):
  IUPAC Name: 2-pyren-1-yloxirane
  Canonical SMILES: C1C(O1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
  InChI: InChI=1S/C18H12O/c1-2-11-4-5-13-6-8-14(16-10-19-16)15-9-7-12(3-1)17(11)18(13)15/h1-9,16H,10H2 
  InChIKey: SWMBSMJCJWZRNR-UHFFFAOYSA-N

1-Oxiranylpyrene Toxicity Data With Reference

1.    

mmo-sat 100 pmol/plate

     CNREA8    Cancer Research. 40 (1980),642.
2.    

dnd-omi 27 µmol/L

     CNREA8    Cancer Research. 38 (1978),3247.
3.    

msc-ham:lng 100 µg/L

     IJCNAW    International Journal of Cancer. 24 (1979),203.
4.    

dnd-mam:lym 1790 µmol/L

     BBRCA9    Biochemical and Biophysical Research Communications. 82 (1978),929.

1-Oxiranylpyrene Consensus Reports

EPA Genetic Toxicology Program.

1-Oxiranylpyrene Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

1-Oxiranylpyrene Specification

 1-Oxiranylpyrene , its CAS NO. is 61695-74-7, the synonyms are 1-Pyrenyloxirane ; 5-17-02-00469 (Beilstein Handbook Reference) ; BRN 1379195 ; Pyrene, 1-epoxyethyl- ; Oxirane, 1-pyrenyl- .

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