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Substance Name: Phenol, 2-chloro-6-nitro-4-(1,1,3,3-tetramethylbutyl)-
RN: 17199-21-2
InChIKey: CMZFNWJNFPSWLL-UHFFFAOYSA-N

Molecular Formula

  • C14-H20-Cl-N-O3

Molecular Weight

  • 285.769
 
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Names and Synonyms

  • Phenol, 2-chloro-6-nitro-4-(1,1,3,3-tetramethylbutyl)-

Registry Numbers

CAS Registry Number

  • 17199-21-2

System Generated Number

  • 0017199212

Structure Descriptors

InChI

1S/C14H20ClNO3/c1-13(2,3)8-14(4,5)9-6-10(15)12(17)11(7-9)16(18)19/h6-7,17H,8H2,1-5H3

InChIKey

CMZFNWJNFPSWLL-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.320 (none)   EST
Water Solubility 0.060 mg/L 25 EST
Vapor Pressure 9.06E-07 mm Hg 25 EST
Henry's Law Constant 4.16E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.57E-12 cm3/molecule-sec 25 EST

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