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Substance Name: 2,6-Di-tert-butyl-4-nitrophenol
RN: 728-40-5
InChIKey: FCGKUUOTWLWJHE-UHFFFAOYSA-N

Note

  • Has been reported as a potential contaminant in submarines.

Classification Codes

  • Acaricide
  • Agricultural Chemical

Molecular Formula

  • C14-H21-N-O3

Molecular Weight

  • 251.324
 
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Names and Synonyms

Name of Substance

  • 2,6-Di-tert-butyl-4-nitrophenol

Synonyms

  • 2,6-Bis(1,1-dimethylethyl)-4-nitrophenol
  • 2,6-Di-tert-butyl-4-nitrophenol
  • 4-06-00-03493 (Beilstein Handbook Reference)
  • AI3-25569
  • BAY 28589
  • Bayer 28589
  • Bayer 4889
  • BRN 2056124
  • ENT 25,569
  • NSC 81682

Systematic Names

  • Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro-
  • Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (9CI)
  • Phenol, 2,6-di-tert-butyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 728-40-5

System Generated Number

  • 0000728405

Structure Descriptors

InChI

1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3

InChIKey

FCGKUUOTWLWJHE-UHFFFAOYSA-N

Smiles

[N+](c1cc(C(C)(C)C)c(c(c1)C(C)(C)C)O)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 580mg/kg (580mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 3, Pg. 713, 1961.
guinea pig LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 3, Pg. 713, 1961.
mouse LD50 intraperitoneal 700mg/kg (700mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 3, Pg. 713, 1961.
rat LD50 intraperitoneal 260mg/kg (260mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 3, Pg. 713, 1961.
rat LD50 oral 250mg/kg (250mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 141, 1969.