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Substance Name: Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
RN: 303-21-9
InChIKey: XBCVBHKJVWVNID-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C10-H12-N2-O5

Molecular Weight

  • 240.214
 
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Names and Synonyms

Synonyms

  • 2,4-Dinitrothymol
  • 2,6-Dinitrothymol
  • 3-06-00-01911 (Beilstein Handbook Reference)
  • AI3-15485
  • BRN 2059319
  • Dinitrothymol 1-2-4
  • Dinitrothymol 1-2-4 [French]
  • EINECS 206-135-3
  • m-Cresol, 2,4-dinitro-6-isobropyl-
  • m-Cresol, 2,4-dinitro-6-isopropyl-
  • NSC 6767
  • Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-

Systematic Names

  • 2,6-Dinitrothymol
  • Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
  • Thymol, 2,6-dinitro-

Registry Numbers

CAS Registry Number

  • 303-21-9

System Generated Number

  • 0000303219

Structure Descriptors

InChI

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

InChIKey

XBCVBHKJVWVNID-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1O)C(C)C)[N+](=O)[O-])C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 15mg/kg (15mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
mouse LDLo oral 140mg/kg (140mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
pigeon LD50 intrapleural 10mg/kg (10mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
pigeon LD50 intrapleural 10mg/kg (10mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
rat LDLo oral 100mg/kg (100mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 36, 1953.