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Substance Name: 3,4-Dinitrotoluene
RN: 610-39-9
UNII: V6PS4L6ZHT
InChIKey: INYDMNPNDHRJQJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-N2-O4

Molecular Weight

  • 182.134
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • Reportable Quantity (RQ) = 10 lb
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Names and Synonyms

Name of Substance

  • 3,4-Dinitrotoluene

Synonyms

  • 3,4-Dinitrotoluene
  • 3,4-Dnt
  • 4-Methyl-1,2-dinitrobenzene
  • Benzene, 4-methyl-1,2-dinitro-
  • CCRIS 2839
  • EINECS 210-222-1
  • HSDB 5501
  • NSC 52216
  • Toluene, 3,4-dinitro-
  • UNII-V6PS4L6ZHT

Systematic Names

  • 3,4-Dinitrotoluene
  • Benzene, 4-methyl-1,2-dinitro-
  • Toluene, 3,4-dinitro-

Superlist Names

  • 3,4-Dinitrotoluene
  • Benzene, 4-methyl-1,2-dinitro-
  • Toluene, 3,4-dinitro-

Registry Numbers

CAS Registry Number

  • 610-39-9

FDA UNII

  • V6PS4L6ZHT

System Generated Number

  • 0000610399

Structure Descriptors

InChI

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

InChIKey

INYDMNPNDHRJQJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 747mg/kg (747mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. AD-A080-146,
rat LD50 oral 807mg/kg (807mg/kg)   National Technical Information Service. Vol. AD-A080-146,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 58.3 deg C   EXP
Boiling Point 284 deg C   EXP
log P (octanol-water) 2.08 (none)   EXP
Water Solubility 100 mg/L 25 EXP
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.