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Substance Name: Phenol, 4-(1,1-dimethylethyl)-2-nitro-
RN: 3279-07-0
InChIKey: IHGNADPMUSNTJW-UHFFFAOYSA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C10-H13-N-O3

Molecular Weight

  • 195.217
 
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Names and Synonyms

Synonym

  • EINECS 221-914-8

Systematic Names

  • 4-tert-Butyl-2-nitrophenol
  • Phenol, 4-(1,1-dimethylethyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 3279-07-0

System Generated Number

  • 0003279070

Structure Descriptors

InChI

1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

InChIKey

IHGNADPMUSNTJW-UHFFFAOYSA-N

Smiles

C(c1cc([N+](=O)[O-])c(O)cc1)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.820 (none)   EST
Water Solubility 25.4 mg/L 25 EST
Vapor Pressure 6.57E-05 mm Hg 25 EST
Henry's Law Constant 1.81E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.64E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.