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Substance Name: 3-Nitrophenetole
RN: 621-52-3
InChIKey: LFOLBPDHVGDKGJ-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O3

Molecular Weight

  • 167.163
 
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Names and Synonyms

Synonyms

  • 1-Ethoxy-3-nitrobenzene
  • AI3-15391
  • CCRIS 2332
  • EINECS 210-691-2
  • m-Nitrophenetole
  • NSC 5405

Systematic Names

  • 3-Nitrophenetole
  • Benzene, 1-ethoxy-3-nitro-
  • m-Nitrophenetole
  • Phenetole, m-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 621-52-3

System Generated Number

  • 0000621523

Structure Descriptors

InChI

1S/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3

InChIKey

LFOLBPDHVGDKGJ-UHFFFAOYSA-N

Smiles

[N+](c1cc(OCC)ccc1)([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36 deg C   EXP
Boiling Point 264 deg C   EXP
log P (octanol-water) 2.380 (none)   EST
Atmospheric OH Rate Constant 8.05E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.