|
|
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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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,1H3InChIKey
SPSSULHKWOKEEL-UHFFFAOYSA-NSmiles
c1(c(c(cc(c1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | oral | 1850mg/kg (1850mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" | 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: CYANOSIS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Special Report Series--Medical Research Council Vol. 58, Pg. 32, 1921. |
human | LDLo | oral | 28gm/kg (28000mg/kg) | GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" LUNGS, THORAX, OR RESPIRATION: CYANOSIS | "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: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Toxicology and Environmental Health. Vol. 9, Pg. 565, 1982. |
rabbit | LDLo | oral | 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. |
rabbit | LDLo | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" 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.