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Substance Name: 1,8-Dinitronaphthalene
RN: 602-38-0
UNII: H6D9Q0K9E6
InChIKey: AVCSMMMOCOTIHF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H6-N2-O4

Molecular Weight

  • 218.1674
 
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Names and Synonyms

Name of Substance

  • 1,8-Dinitronaphthalene

Synonyms

  • 1,8-Dinitronaphthalene
  • 4-05-00-01681 (Beilstein Handbook Reference)
  • AI3-08844
  • BRN 1881846
  • CCRIS 2840
  • EINECS 210-016-1
  • NSC 6323
  • UNII-H6D9Q0K9E6

Systematic Names

  • 1,8-Dinitronaphthalene
  • Naphthalene, 1,8-dinitro-

Registry Numbers

CAS Registry Number

  • 602-38-0

FDA UNII

  • H6D9Q0K9E6

System Generated Number

  • 0000602380

Structure Descriptors

InChI

1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H

InChIKey

AVCSMMMOCOTIHF-UHFFFAOYSA-N

Smiles

c1cc2cccc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 173 deg C   EXP
log P (octanol-water) 2.52 (none)   EXP
Water Solubility 34 mg/L 15 EXP
Vapor Pressure 4.28E-06 mm Hg 25 EST
Henry's Law Constant 8.19E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.36E-13 cm3/molecule-sec 25 EST

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