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Substance Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-
RN: 10537-89-0
InChIKey: WOXMNVUOAYYRCE-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O3

Molecular Weight

  • 277.362
 
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Names and Synonyms

Synonyms

  • 2,6-Bis(1,1-dimethylethyl)-4-(2-nitroethenyl)phenol
  • beta-Nitro-3,5-di-tert-butyl-4-hydroxystyrene

Systematic Name

  • Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-

Registry Numbers

CAS Registry Number

  • 10537-89-0

System Generated Number

  • 0010537890

Structure Descriptors

InChI

1S/C16H23NO3/c1-15(2,3)12-9-11(7-8-17(19)20)10-13(14(12)18)16(4,5)6/h7-10,18H,1-6H3/b8-7+

InChIKey

WOXMNVUOAYYRCE-BQYQJAHWSA-N

Smiles

c1(c(cc(cc1C(C)(C)C)\C=C\[N+](=O)[O-])C(C)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0057881,