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Substance Name: 2,4-Dinitrotoluene
RN: 121-14-2
UNII: 6741D310ED
InChIKey: RMBFBMJGBANMMK-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-N2-O4

Molecular Weight

  • 182.134
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 94
  • 2011 CERCLA Priority List, Rank: 98
  • Overall Carcinogenic Evaluation: Group 2B
  • Reportable Quantity (RQ) = 10 lb

Names and Synonyms

Name of Substance

  • 2,4-Dinitrotoluene

Synonyms

  • 1-Methyl-2,4-dinitrobenzene
  • 2,4-Dinitro-1-methylbenzene
  • 2,4-Dinitromethylbenzene
  • 2,4-Dinitrotoluene
  • 2,4-Dinitrotoluol
  • 2,4-DNT
  • 4-Methyl-1,3-dinitrobenzene
  • AI3-15342
  • CCRIS 268
  • EINECS 204-450-0
  • HSDB 1144
  • NCI-C01865
  • NSC 7194
  • RCRA waste number U105
  • Toluene, 2,4-dinitro-
  • UNII-6741D310ED

Systematic Names

  • 1-Methyl-2,4-dinitrobenzene
  • 2,4-Dinitrotoluene
  • Benzene, 1-methyl-2,4-dinitro-
  • Toluene, 2,4-dinitro-

Superlist Names

  • 2,4-Dinitrotoluene
  • Benzene, 1-methyl-2,4-dinitro-
  • Dinitrotoluene
  • RCRA waste no. U105
  • Toluene, 2,4-dinitro-

Registry Numbers

CAS Registry Number

  • 121-14-2

FDA UNII

  • 6741D310ED

System Generated Number

  • 0000121142

Structure Descriptors

InChI

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

InChIKey

RMBFBMJGBANMMK-UHFFFAOYSA-N

Smiles

c1(cc(ccc1C)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 25mg/kg (25mg/kg)   U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 110, 1941.
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0572393,
mouse LD50 oral 790mg/kg (790mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rat LD50 oral 268mg/kg (268mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 71 deg C   EXP
Boiling Point 300 deg C   EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 270 mg/L 22 EXP
Vapor Pressure 1.47E-04 mm Hg 22 EXP
Henry's Law Constant 5.40E-08 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.16E-13 cm3/molecule-sec 25 EST

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