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Substance Name: 2,6-Dinitrotoluene
RN: 606-20-2
UNII: GG7FAV92MK
InChIKey: XTRDKALNCIHHNI-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-N2-O4

Molecular Weight

  • 182.134
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 261
  • 2011 CERCLA Priority List, Rank: 259
  • Overall Carcinogenic Evaluation: Group 2B
  • Reportable Quantity (RQ) = 100 lb

Names and Synonyms

Name of Substance

  • 2,6-Dinitrotoluene

Synonyms

  • 1-Methyl-2,6-dinitrobenzene
  • 2,6-Dinitromethylbenzene
  • 2,6-Dinitrotoluene
  • 2,6-DNT
  • 2-Methyl-1,3-dinitrobenzene
  • 4-05-00-00866 (Beilstein Handbook Reference)
  • Benzene, 2-methyl-1,3-dinitro-
  • BRN 2052046
  • CCRIS 1006
  • EINECS 210-106-0
  • HSDB 2931
  • RCRA waste number U106
  • UNII-GG7FAV92MK

Systematic Names

  • 2,6-Dinitrotoluene
  • 2-Methyl-1,3-dinitrobenzene
  • Benzene, 2-methyl-1,3-dinitro-
  • Toluene, 2,6-dinitro-

Superlist Names

  • 1-Methyl-2,6-dinitrobenzene
  • 2,6-Dinitrotoluene
  • Benzene, 2-methyl-1,3-dinitro-
  • RCRA waste no. U106
  • Toluene, 2,6-dinitro-

Registry Numbers

CAS Registry Number

  • 606-20-2

FDA UNII

  • GG7FAV92MK

System Generated Number

  • 0000606202

Structure Descriptors

InChI

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

InChIKey

XTRDKALNCIHHNI-UHFFFAOYSA-N

Smiles

c1(c(c([N+](=O)[O-])ccc1)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 621mg/kg (621mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. AD-A080-146,
rat LC50 inhalation 240mg/m3/6H (240mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: FIBROSING ALVEOLITIS

LUNGS, THORAX, OR RESPIRATION: CHANGES IN LUNG WEIGHT
National Technical Information Service. Vol. OTS0533663,
rat LD50 oral 177mg/kg (177mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66 deg C   EXP
Boiling Point 300 deg C   EXP
pKa Dissociation Constant 1.8 (none)   EXP
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 182 mg/L 25 EST
Vapor Pressure 5.67E-04 mm Hg 25 EXP
Henry's Law Constant 7.47E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.16E-13 cm3/molecule-sec 25 EST

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