Product Name

  • Name

    1-nitropyren-4-ol

  • EINECS
  • CAS No. 91254-96-5
  • Density 1.528g/cm3
  • Solubility
  • Melting Point
  • Formula C16H9NO3
  • Boiling Point 509.7°Cat760mmHg
  • Molecular Weight 263.252
  • Flash Point 218.3°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 91254-96-5 (1-nitropyren-4-ol)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

1-Nitro-4-pyrenol Chemical Properties

Product Name: 1-Nitro-4-pyrenol 
CAS Registry Number: 91254-96-5 
Synonyms: CCRIS 7733 ; 1-Nitropyren-4-ol ; 4-Pyrenol, 1-nitro- 
IUPAC Name: 1-nitropyren-4-ol 
Molecular Weight: 263.24756 [g/mol]
Molecular Formula: C16H9NO3
XLogP3-AA: 4.5
H-Bond Donor: 1
H-Bond Acceptor: 3 
Surface Tension: 83.1 dyne/cm
Density: 1.528 g/cm3
Flash Point: 218.3 °C
Enthalpy of Vaporization: 80.98 kJ/mol
Boiling Point: 509.7 °C at 760 mmHg
Vapour Pressure: 5.2E-11 mmHg at 25°C
Following is the molecular structure of 1-Nitro-4-pyrenol (CAS NO.91254-96-5) is:

1-Nitro-4-pyrenol Toxicity Data With Reference

1.    

mic-sat 10 ng/plate

    MUREAV    Mutation Research. 369 (1996),209.

1-Nitro-4-pyrenol Safety Profile

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

1-Nitro-4-pyrenol Specification

Descriptors computed from structure, you can know some information about 1-Nitro-4-pyrenol (CAS NO.91254-96-5) :
Canonical SMILES: C1=CC2=C3C(=C1)C=C(C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2)O
InChI: InChI=1S/C16H9NO3/c18-14-8-10-3-1-2-9-4-5-11-13(17(19)20)7-6-12(14)16(11)15(9)10/h1-8,18H
InChIKey: QDCYNNFGMVNKEX-UHFFFAOYSA-N

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