2,4,5-Trinitrotoluene

CAS 610-25-3 MFCD00234266

化学结构图

610-25-3
SMILES: Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

化学属性

Mol. FormulaC7H5N3O6
Mol. Weight227.15

别名和识别编码

Chemical Name2,4,5-Trinitrotoluene
Synonym Benzene, 1-methyl-2,4,5-trinitro- 2,4,5-Trinitrotoluol 1-Methyl-2,4,5-trinitrobenzol 2,4,5-trinitro-toluene 2,4,5-Trinitrotoluene 2,4,5-trinitrotoluene benzene, 1-methyl-2,4,5-trinitro- 1-methyl-2,4,5-trinitrobenzene
Wiswesser Line NotationWNR B1 DNW ENW
CAS Number610-25-3
Beilstein Registry Number1992649
InChIKeyFZJGZCSVWGKDAK-UHFFFAOYSA-N
PubChem Substance ID11878
InChIInChI=1S/C7H5N3O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/h2-3H,1H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSXU0174000 
TYPE OF TEST            : LD20 - Lethal Dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,117,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 4,163,1982

系列性分类

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