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Substance Name: 2,5-Dinitrotoluene
RN: 619-15-8
UNII: 870KS1U6JB
InChIKey: KZBOXYKTSUUBTO-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C7-H6-N2-O4

Molecular Weight

  • 182.134
 
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Names and Synonyms

Name of Substance

  • 2,5-Dinitrotoluene

Synonyms

  • 2,5-Dinitrotoluene
  • 2,5-DNT
  • 2-Methyl-1,4-dinitrobenzene
  • 4-05-00-00866 (Beilstein Handbook Reference)
  • Benzene, 2-methyl-1,4-dinitro-
  • BRN 2213718
  • CCRIS 2838
  • EINECS 210-581-4
  • HSDB 5504
  • NSC 159120
  • Toluene, 2,5-dinitro-
  • UNII-870KS1U6JB

Systematic Names

  • 2,5-Dinitrotoluene
  • Benzene, 2-methyl-1,4-dinitro-
  • Toluene, 2,5-dinitro-

Superlist Name

  • Toluene, 2,5-dinitro-

Registry Numbers

CAS Registry Number

  • 619-15-8

FDA UNII

  • 870KS1U6JB

System Generated Number

  • 0000619158

Structure Descriptors

InChI

1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3

InChIKey

KZBOXYKTSUUBTO-UHFFFAOYSA-N

Smiles

c1(cc(c([N+](=O)[O-])cc1)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 652mg/kg (652mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. AD-A080-146,
rat LD50 oral 517mg/kg (517mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. AD-A080-146,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52.5 deg C   EXP
Boiling Point 284 deg C   EXP
log P (octanol-water) 2.180 (none)   EST
Water Solubility 220 mg/L 25 EST
Vapor Pressure 3.97E-04 mm Hg 25 EST
Henry's Law Constant 9.26E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.92E-13 cm3/molecule-sec 25 EST

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