Product Name

  • Name

    1-nitrobenzo(e)pyrene

  • EINECS
  • CAS No. 91259-16-4
  • Density 1.429g/cm3
  • Solubility
  • Melting Point
  • Formula C20H11 N O2
  • Boiling Point 533.5°Cat760mmHg
  • Molecular Weight 297.313
  • Flash Point 265.4°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 91259-16-4 (1-nitrobenzo(e)pyrene)
  • Hazard Symbols
  • Synonyms 1-Nitrobenzo[e]pyrene
  • PSA 45.82000
  • LogP 6.16860

1-Nitrobenzo(e)pyrene Chemical Properties

Product Name: 1-Nitrobenzo(e)pyrene 
CAS Registry Number: 91259-16-4
Synonyms: 1-Nitrobenzo(e)pyrene ; CCRIS 1528 ; Benzo(e)pyrene, 1-nitro- 
IUPAC Name: 1-nitrobenzo[e]pyrene 
Molecular Weight: 297.30684 [g/mol]
Molecular Formula: C20H11NO2
XLogP3-AA: 5.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Surface Tension: 73.5 dyne/cm
Density: 1.429 g/cm3
Flash Point: 265.4 °C
Enthalpy of Vaporization: 77.92 kJ/mol
Boiling Point: 533.5 °C at 760 mmHg
Vapour Pressure: 6.33E-11 mmHg at 25°C
Following is the molecular structure of 1-Nitrobenzo(e)pyrene (CAS NO.91259-16-4) is:

1-Nitrobenzo(e)pyrene Toxicity Data With Reference

1.    

mic-sat 2500 ng/plate

    CRNGDP    Carcinogenesis. 9 (1988),951.
2.    

msc-ipr-mus 23.7 mg/kg/15D-I

    CALEDQ    Cancer Letters (Shannon, Ireland). 146 (1999),1.

1-Nitrobenzo(e)pyrene Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

1-Nitrobenzo(e)pyrene Specification

Descriptors computed from structure, you can know some information about 1-Nitrobenzo(e)pyrene (CAS NO.91259-16-4) :
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-]
InChI: InChI=1S/C20H11NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H
InChIKey: MXWQJYPMZBPDRV-UHFFFAOYSA-N

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