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Substance Name: 2-Hexyl-4,6-dinitrophenol
RN: 4099-65-4
InChIKey: UZZSJGULYYQOOY-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-N2-O5

Molecular Weight

  • 268.267
 
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Names and Synonyms

Synonym

  • EINECS 223-863-7

Systematic Name

  • 2-Hexyl-4,6-dinitrophenol

Registry Numbers

CAS Registry Number

  • 4099-65-4

System Generated Number

  • 0004099654

Structure Descriptors

InChI

1S/C12H16N2O5/c1-2-3-4-5-6-9-7-10(13(16)17)8-11(12(9)15)14(18)19/h7-8,15H,2-6H2,1H3

InChIKey

UZZSJGULYYQOOY-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.730 (none)   EST
Water Solubility 1.710 mg/L 25 EST
Vapor Pressure 6.35E-08 mm Hg 25 EST
Henry's Law Constant 1.26E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.87E-12 cm3/molecule-sec 25 EST

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