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Substance Name: 1,3-Dinitronaphthalene
RN: 606-37-1
UNII: D55U333CQS
InChIKey: ULALSFRIGPMWRS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H6-N2-O4

Molecular Weight

  • 218.167
 
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Names and Synonyms

Name of Substance

  • 1,3-Dinitronaphthalene

Synonyms

  • 1,3-Dinitronaphthalene
  • 4-05-00-01680 (Beilstein Handbook Reference)
  • AI3-26488
  • BRN 1976375
  • CCRIS 6027
  • EINECS 210-116-5
  • NSC 74478
  • UNII-D55U333CQS

Systematic Names

  • 1,3-Dinitronaphthalene
  • Naphthalene, 1,3-dinitro-

Registry Numbers

CAS Registry Number

  • 606-37-1

FDA UNII

  • D55U333CQS

System Generated Number

  • 0000606371

Structure Descriptors

InChI

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

InChIKey

ULALSFRIGPMWRS-UHFFFAOYSA-N

Smiles

c12c(cc([N+](=O)[O-])cc1cccc2)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148 deg C   EXP
log P (octanol-water) 2.83 (none)   EXP
Water Solubility 54.9 mg/L 25 EST
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.