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Substance Name: 2,4,5-Trinitrotoluene
RN: 610-25-3
InChIKey: FZJGZCSVWGKDAK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N3-O6

Molecular Weight

  • 227.132
 
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Names and Synonyms

Results Name

  • 2,4,5-Trinitrotoluene

Synonyms

  • 2,4,5-Trinitrotoluene
  • 4-05-00-00872 (Beilstein Handbook Reference)
  • BRN 1992649
  • EINECS 210-214-8

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 610-25-3

System Generated Number

  • 0000610253

Structure Descriptors

InChI

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

InChIKey

FZJGZCSVWGKDAK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 subcutaneous 250mg/kg (250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 117, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 104 deg C   EXP
Boiling Point 300 deg C   EXP
log P (octanol-water) 1.990 (none)   EST
Atmospheric OH Rate Constant 1.43E-13 cm3/molecule-sec 25 EST

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