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Substance Name: Trinitrotoluene
RN: 118-96-7
UNII: H43RF5TRM5
InChIKey: SPSSULHKWOKEEL-UHFFFAOYSA-N

Note

  • A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.

Molecular Formula

  • C7-H5-N3-O6

Molecular Weight

  • 227.132
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Explosive Agents
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data
  • Unspecified / Unclassified Pesticide

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 82
  • 2011 CERCLA Priority List, Rank: 82
  • Overall Carcinogenic Evaluation: Group 3
  • TWA 0.1 mg/m3; skin; BEI
  • TWA 1.5 mg/m3; skin

Names and Synonyms

Results Name

  • Trinitrotoluene

Name of Substance

  • 2,4,6-Trinitrotoluene
  • Trinitrotoluene

MeSH Heading

  • Trinitrotoluene

Synonyms

  • 1-Methyl-2,4,6-trinitrobenzene
  • 2,4,6-Trinitrotolueen
  • 2,4,6-Trinitrotolueen [Dutch]
  • 2,4,6-Trinitrotoluene
  • 2,4,6-Trinitrotoluol
  • 2,4,6-Trinitrotoluol [German]
  • 2-Methyl-1,3,5-trinitrobenzene
  • alpha-TNT
  • Benzene, 2-methyl-1,3,5-trinitro-
  • CCRIS 1299
  • EC 204-289-6
  • EINECS 204-289-6
  • Gradetol
  • HSDB 1146
  • NCI-C56155
  • NSC 36949
  • s-Trinitrotoluene
  • s-Trinitrotoluol
  • sym-Trinitrotoluol
  • TNT
  • TNT-tolite
  • TNT-tolite [French]
  • Tolit
  • Tolite
  • Toluene, 2,4,6-trinitro-
  • Trinitrotoluene
  • Tritol
  • Tritol (explosive)
  • Trojnitrotoluen
  • Trojnitrotoluen [Polish]
  • Trotyl
  • Trotyl oil
  • UNII-H43RF5TRM5

Systematic Names

  • 2,4,6-Trinitrotoluene
  • Benzene, 2-methyl-1,3,5-trinitro-
  • Toluene, 2,4,6-trinitro-

Superlist Names

  • 2,4,6-Trinitrotoluene
  • Benzene, 2-methyl-1,3,5-trinitro-
  • TNT
  • Trinitrotoluene
  • Trinitrotoluene or TNT, dry or wetted with < 30% water, by mass
  • Trinitrotoluene or TNT, dry or wetted with <30% water, by mass
  • Trinitrotoluene or TNT, dry or wetted with <30% water, by mass [UN0209] [Explosive 1.1D]
  • Trinitrotoluene, wetted with not <30% water, by mass
  • Trinitrotoluene, wetted with not <30% water, by mass [UN1356] [Flammable solid]
  • UN0209
  • UN1356

Registry Numbers

CAS Registry Number

  • 118-96-7

FDA UNII

  • H43RF5TRM5

System Generated Number

  • 0000118967

Structure Descriptors

InChI

1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3

InChIKey

SPSSULHKWOKEEL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 1850mg/kg (1850mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Special Report Series--Medical Research Council Vol. 58, Pg. 32, 1921.
cat LDLo subcutaneous 200mg/kg (200mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Special Report Series--Medical Research Council Vol. 58, Pg. 32, 1921.
human LDLo oral 28gm/kg (28000mg/kg) GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"		 "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 610, 1969.
mouse LD50 oral 660mg/kg (660mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR		 Journal of Toxicology and Environmental Health. Vol. 9, Pg. 565, 1982.
rabbit LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Special Report Series--Medical Research Council Vol. 58, Pg. 32, 1921.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Special Report Series--Medical Research Council Vol. 58, Pg. 32, 1921.
rat LD50 oral 607mg/kg (607mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

KIDNEY, URETER, AND BLADDER: "INFLAMMATION, NECROSIS, OR SCARRING OF BLADDER"		 International Journal of Toxicology. Vol. 19, Pg. 169, 2000.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80.1 deg C   EXP
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 130 mg/L 20 EXP
Vapor Pressure 8.02E-06 mm Hg 25 EXP
Henry's Law Constant 2.08E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-13 cm3/molecule-sec 25 EST

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