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Substance Name: 1-Fluoro-2,4-dinitrobenzene
RN: 70-34-8
UNII: D241E059U6
InChIKey: LOTKRQAVGJMPNV-UHFFFAOYSA-N

Note

  • Irritants and reagents for labeling terminal amino acid groups.

Molecular Formula

  • C6-H3-F-N2-O4

Molecular Weight

  • 186.098
 

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Mutation Data
  • Unspecified / Unclassified Pesticide
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Names and Synonyms

Name of Substance

  • 1-Fluoro-2,4-dinitrobenzene
  • Dinitrofluorobenzene

MeSH Heading

  • Dinitrofluorobenzene

Synonyms

  • 1-Fluoro-2,4-dinitrobenzene
  • 2,4-Dinitro-1-fluorobenzene
  • 2,4-Dinitrobenzene fluoride
  • 2,4-Dinitrobenzenefluoride
  • 2,4-Dinitrofluorobenzene
  • 2,4-Dinitrophenyl fluoride
  • 2,4-DNFB
  • 4-05-00-00742 (Beilstein Handbook Reference)
  • AI3-52653
  • Benzene, 1-fluoro-2,4-dinitro-
  • Benzene, 2,4-dinitro-1-fluoro-
  • BRN 0398632
  • CCRIS 1800
  • DFB (VAN)
  • Dinitrofluorobenzene
  • DNFB
  • EINECS 200-734-3
  • FDNB
  • Fluoro-2,4-dinitrobenzene
  • Fluorodinitrobenzene (VAN)
  • HSDB 4342
  • NSC 33519
  • UNII-D241E059U6

Systematic Names

  • 1-Fluoro-2,4-dinitrobenzene
  • Benzene, 1-fluoro-2,4-dinitro-
  • Benzene, 2,4-dinitro-1-fluoro-

Registry Numbers

CAS Registry Number

  • 70-34-8

FDA UNII

  • D241E059U6

System Generated Number

  • 0000070348

Structure Descriptors

InChI

1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChIKey

LOTKRQAVGJMPNV-UHFFFAOYSA-N

Smiles

c1(cc(ccc1F)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 100mg/kg (100mg/kg)   Cancer Research. Vol. 29, Pg. 179, 1969.
mouse LDLo subcutaneous 100mg/kg (100mg/kg)   Biochemical Journal. Vol. 41, Pg. 558, 1947.
rat LDLo oral 50mg/kg (50mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 17, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25.8 deg C   EXP
Boiling Point 296 deg C   EXP
log P (octanol-water) 1.830 (none)   EST
Water Solubility 400 mg/L 25 EXP
Vapor Pressure 2.40E-03 mm Hg 25 EST
Henry's Law Constant 9.79E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.82E-14 cm3/molecule-sec 25 EST

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