Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Nitroacenaphthene
RN: 602-87-9
UNII: F023F6C79X
InChIKey: CUARLQDWYSRQDF-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-N-O2

Molecular Weight

  • 199.208
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 5-Nitroacenaphthene

Synonyms

  • 1,2-Dihydro-5-nitro-acenaphthylene
  • 4-05-00-01840 (Beilstein Handbook Reference)
  • 5-Nan
  • 5-Nitroacenaphthene
  • 5-Nitroacenaphthylene
  • 5-Nitroacenapthene
  • 5-Nitronaphthalene
  • 5-Nitronaphthalene ethylene
  • Acenaphthene, 5-nitro-
  • Acenaphthylene, 1,2-dihydro-5-nitro-
  • BRN 1876864
  • CCRIS 438
  • EINECS 210-025-0
  • HSDB 4092
  • NCI-C01967
  • NSC 1312
  • NSC 22421
  • UNII-F023F6C79X

Systematic Names

  • 1,2-Dihydro-5-nitroacenaphthylene
  • 5-Nitroacenaphthene
  • Acenaphthene, 5-nitro-
  • Acenaphthylene, 1,2-dihydro-5-nitro-

Superlist Names

  • 5-Nitroacenaphthene
  • Acenaphthylene, 1,2-dihydro-5-nitro-

Registry Numbers

CAS Registry Number

  • 602-87-9

FDA UNII

  • F023F6C79X

System Generated Number

  • 0000602879

Structure Descriptors

InChI

1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2

InChIKey

CUARLQDWYSRQDF-UHFFFAOYSA-N

Smiles

c12c3c(ccc1CCc2ccc3)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100.5 deg C   EXP
log P (octanol-water) 3.85 (none)   EXP
Water Solubility 0.91 mg/L 25 EXP
Vapor Pressure 2.65E-05 mm Hg 25 EST
Henry's Law Constant 1.11E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.30E-12 cm3/molecule-sec 25 EST

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