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Substance Name: 2,4,7-Trinitro-9H-fluoren-9-one
RN: 129-79-3
UNII: B2290YT0WB
InChIKey: VHQGURIJMFPBKS-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C13-H5-N3-O7

Molecular Weight

  • 315.197
 
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Names and Synonyms

Name of Substance

  • 2,4,7-Trinitro-9H-fluoren-9-one
  • 2,4,7-Trinitrofluorenone

Synonyms

  • 2,4,7-Trinitro-9H-fluoren-9-one
  • 2,4,7-Trinitrofluoren-9-one
  • 2,4,7-Trinitrofluorenone
  • 2,4,7-Trinitrofluorone
  • 9H-Fluoren-9-one, 2,4,7-trinitro-
  • AI3-17164
  • CCRIS 1298
  • EINECS 204-965-0
  • Fluoren-9-one, 2,4,7-trinitro-
  • HSDB 5408
  • NSC 12367
  • TNF
  • TNF (ketone)
  • UNII-B2290YT0WB

Systematic Names

  • 2,4,7-Trinitro-9H-fluoren-9-one
  • 2,4,7-Trinitrofluoren-9-one
  • 9H-Fluoren-9-one, 2,4,7-trinitro-
  • Fluoren-9-one, 2,4,7-trinitro-

Superlist Name

  • Trinitrofluorenone

Registry Numbers

CAS Registry Number

  • 129-79-3

FDA UNII

  • B2290YT0WB

System Generated Number

  • 0000129793

Structure Descriptors

InChI

1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H

InChIKey

VHQGURIJMFPBKS-UHFFFAOYSA-N

Smiles

c12c3c(cc([N+](=O)[O-])cc3)C(c1cc([N+](=O)[O-])cc2[N+](=O)[O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 3500mg/m3/6H (3500mg/m3)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0480-0339,
rabbit LD50 skin > 2gm/kg (2000mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0480-0339,
rat LD50 oral 9910mg/kg (9910mg/kg)   Pesticide & Toxic Chemical News. Vol. 8, Pg. 4, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 176 deg C   EXP
log P (octanol-water) 2.42 (none)   EXP
Water Solubility 2.710 mg/L 25 EST
Vapor Pressure 2.92E-10 mm Hg 25 EST
Henry's Law Constant 4.16E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.06E-13 cm3/molecule-sec 25 EST

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