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3-Phenanthrol

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3-Phenanthrol Basic information

Product Name:
3-Phenanthrol
Synonyms:
  • 3-Phenanthrenol
  • 3-Phenanthrol
  • NSC 30984
  • 3-HYDROXY-PHENANTHRENE
CAS:
605-87-8
MF:
C14H10O
MW:
194.23
Product Categories:
  • Aromatics
  • Various Metabolites and Impurities
  • Intermediates & Fine Chemicals
  • Metabolites & Impurities
  • Pharmaceuticals
Mol File:
605-87-8.mol
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3-Phenanthrol Chemical Properties

Melting point:
92-94°C
Boiling point:
404.5±14.0 °C(Predicted)
Density 
1.244±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form 
Solid
pka
9.57±0.30(Predicted)
color 
Pale Red to Pale Brown
InChI
InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H
InChIKey
NGPOABOEXMDQBT-UHFFFAOYSA-N
SMILES
C1=C2C(C3C(C=C2)=CC=CC=3)=CC(O)=C1
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3-Phenanthrol Usage And Synthesis

Chemical Properties

Tan Solid

Uses

3-Phenanthrol is a metabolite of Phenanthrene.

Definition

ChEBI: 3-phenanthrol is a phenanthrol.

Application

In a mixed solvent of water-acetic acid-propionic acid, 3-phenanthrol was nitrated with an equimolar amount of nitric acid at - 25 - 20°C to obtain a mixture of mononitro compounds containing a small amount of polynitro compounds. The mixture consisted of 9-nitro-3-phenanthrol, 4-nitro-3-phenanthrol, and 2-nitro -3-phenanthrol, the amount of each product being decreased in this order. Further nitration of 4-nitro-3-phenanthrol and 2-nitro -3-phenanthrol in dilute acetic acid at 1112°C gave a common product, 4, 9-dinitro-3-phenanthrol[1].

References

[1] E. ōta, K. Iwamoto, H. Kawashima. “Nitration of 3-Phenanthrol.” Journal of Synthetic Organic Chemistry Japan 22 1 (1969): 157–161.

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