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Substance Name: 2,6-Dinitro-4-octylphenol
RN: 4097-33-0
UNII: I7UAX8GLED
InChIKey: NYGISSDEOKKXOE-UHFFFAOYSA-N

Molecular Formula

  • C14-H20-N2-O5

Molecular Weight

  • 296.321
 
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Names and Synonyms

Name of Substance

  • 2,6-Dinitro-4-octylphenol

Synonyms

  • 2,6-Dinitro-4-octylphenol
  • HSDB 3903
  • Phenol, 2,6-dinitro-4-octyl-
  • UNII-I7UAX8GLED

Systematic Name

  • Phenol, 2,6-dinitro-4-octyl-

Registry Numbers

CAS Registry Number

  • 4097-33-0

FDA UNII

  • I7UAX8GLED

System Generated Number

  • 0004097330

Structure Descriptors

InChI

1S/C14H20N2O5/c1-2-3-4-5-6-7-8-11-9-12(15(18)19)14(17)13(10-11)16(20)21/h9-10,17H,2-8H2,1H3

InChIKey

NYGISSDEOKKXOE-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.710 (none)   EST
Water Solubility 0.170 mg/L 25 EST
Vapor Pressure 1.00E-08 mm Hg 25 EST
Henry's Law Constant 6.00E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.70E-12 cm3/molecule-sec 25 EST

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