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Substance Name: Phenol, 2-chloro-4-(1,1-dimethylethyl)-6-nitro-
RN: 14593-28-3
InChIKey: ANIIEJHRMKMVOR-UHFFFAOYSA-N

Molecular Weight

  • 229.662
 
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Names and Synonyms

Synonym

  • 4-tert-Butyl-2-chloro-6-nitrophenol

Systematic Name

  • Phenol, 2-chloro-4-(1,1-dimethylethyl)-6-nitro-

Registry Numbers

CAS Registry Number

  • 14593-28-3

System Generated Number

  • 0014593283

Structure Descriptors

InChI

1S/C10H12ClNO3/c1-10(2,3)6-4-7(11)9(13)8(5-6)12(14)15/h4-5,13H,1-3H3

InChIKey

ANIIEJHRMKMVOR-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1O)Cl)C(C)(C)C)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.460 (none)   EST
Water Solubility 4.730 mg/L 25 EST
Vapor Pressure 1.43E-05 mm Hg 25 EST
Henry's Law Constant 1.34E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.24E-13 cm3/molecule-sec 25 EST

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