2,6-Dinitrothymol

CAS 303-21-9 MFCD01679742

化学结构图

303-21-9
SMILES: Cc1c([N+](=O)[O-])cc(C(C)C)c(O)c1[N+](=O)[O-]

化学属性

Mol. FormulaC10H12N2O5
Mol. Weight240.24

别名和识别编码

Chemical NamePhenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
InChIKeyXBCVBHKJVWVNID-UHFFFAOYSA-N
Wiswesser Line NotationWNR BQ F1 DNW CY1&1
Synonym m-Cresol, 2,4-dinitro-6-isobropyl- 2,4-Dinitrothymol 2,6-Dinitrothymol Dinitrothymol 1-2-4 Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
CAS Number303-21-9
Beilstein Registry Number2059319
LabNetwork Molecule IDLN00263304
PubChem Substance ID9339
InChIInChI=1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3
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安全信息

RTECSXP2625000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intrapleural
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - nausea or vomiting
   Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 50,20,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - respiratory stimulation
   Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 50,20,1935

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Scienc

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