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Substance Name: 1,4-Dinitrobenzene
RN: 100-25-4
UNII: 784Q9O56S9
InChIKey: FYFDQJRXFWGIBS-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-N2-O4

Molecular Weight

  • 168.108
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • TWA (0.15 ppm); skin; BEI
  • TWA 1 mg/m3; skin

Names and Synonyms

Name of Substance

  • 1,4-Dinitrobenzene

Synonyms

  • 1,4-Dinitrobenzene
  • Benzene, 1,4-dinitro-
  • Benzene, p-dinitro-
  • CCRIS 3092
  • Dinitrobenzene, para-
  • Dithane A-4
  • EINECS 202-833-7
  • HSDB 4485
  • NSC 3809
  • p-Dinitrobenzene
  • UNII-784Q9O56S9

Systematic Names

  • 1,4-Dinitrobenzene
  • Benzene, 1,4-dinitro-
  • Benzene, p-dinitro-
  • p-Dinitrobenzene

Superlist Names

  • Benzene, 1,4-dinitro-
  • Dinitrobenzene, all isomers
  • Dinitrobenzene, p-
  • p-Dinitrobenzene
  • p-Dinitrobenzene [UN1597] [Poison]
  • UN1597

Registry Numbers

CAS Registry Number

  • 100-25-4

FDA UNII

  • 784Q9O56S9

System Generated Number

  • 0000100254

Structure Descriptors

InChI

1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

InChIKey

FYFDQJRXFWGIBS-UHFFFAOYSA-N

Smiles

c1([N+](=O)[O-])ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 29mg/kg (29mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 516, 1989.
rat LD50 intraperitoneal 56mg/kg (56mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 31, 1944.
rat LDLo oral 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0546024,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 174 deg C   EXP
Boiling Point 297 deg C   EXP
log P (octanol-water) 1.46 (none)   EXP
Water Solubility 69 mg/L 25 EXP
Vapor Pressure 2.61E-05 mm Hg 25 EST
Henry's Law Constant 8.39E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.13E-14 cm3/molecule-sec 25 EST

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