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Substance Name: 2-Nitro-9H-fluorene
RN: 607-57-8
UNII: 191LL4U4GZ
InChIKey: XFOHWECQTFIEIX-UHFFFAOYSA-N

Molecular Formula

  • C13-H9-N-O2

Molecular Weight

  • 211.219
 

Classification Codes

Classification Codes

  • Air Pollutants
  • Environmental Pollutants
  • Mutagens
  • Mutation Data
  • Noxae
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
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Names and Synonyms

Name of Substance

  • 2-Nitro-9H-fluorene
  • 2-Nitrofluorene

Synonyms

  • 2-Nitrofluorene
  • 4-05-00-02149 (Beilstein Handbook Reference)
  • 9H-Fluorene, 2-nitro-
  • AI3-08839
  • BRN 1877983
  • CCRIS 1189
  • EINECS 210-138-5
  • Fluorene, 2-nitro-
  • HSDB 2111
  • Nitrofluorene
  • NSC 5182
  • UNII-191LL4U4GZ

Systematic Names

  • 2-Nitrofluorene
  • 9H-Fluorene, 2-nitro-
  • Fluorene, 2-nitro- (8CI)

Superlist Name

  • 2-Nitrofluorene

Registry Numbers

CAS Registry Number

  • 607-57-8

FDA UNII

  • 191LL4U4GZ

System Generated Number

  • 0000607578

Structure Descriptors

InChI

1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2

InChIKey

XFOHWECQTFIEIX-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)Cc1cc([N+](=O)[O-])cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 157 deg C   EXP
log P (octanol-water) 3.37 (none)   EXP
Water Solubility 0.216 mg/L 25 EXP
Vapor Pressure 9.54E-06 mm Hg 25 EST
Henry's Law Constant 6.60E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.16E-12 cm3/molecule-sec 25 EST

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