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Substance Name: Phenol, 2,4-dinitro-6-(alpha-methylbenzyl)-
RN: 64047-74-1
InChIKey: DGTJUIOBQZQQSD-UHFFFAOYSA-N

Molecular Formula

  • C14-H12-N2-O5

Molecular Weight

  • 288.258
 
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Names and Synonyms

Synonyms

  • AI3-19616
  • Phenol, 2-(alpha-methylbenzyl)-4,6-dinitro-

Systematic Names

  • Phenol, 2,4-dinitro-6-(1-phenylethyl)-
  • Phenol, 2,4-dinitro-6-(alpha-methylbenzyl)-

Registry Numbers

CAS Registry Number

  • 64047-74-1

System Generated Number

  • 0064047741

Structure Descriptors

InChI

1S/C14H12N2O5/c1-9(10-5-3-2-4-6-10)12-7-11(15(18)19)8-13(14(12)17)16(20)21/h2-9,17H,1H3

InChIKey

DGTJUIOBQZQQSD-UHFFFAOYSA-N

Smiles

c1(N(=O)=O)c(c([C@@H](c2ccccc2)C)cc(N(=O)=O)c1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 62500ug/kg (62.5mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 225, 1954.