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Substance Name: p-Iodophenol
RN: 540-38-5
UNII: BH194BAK0B
InChIKey: VSMDINRNYYEDRN-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C6-H5-I-O

Molecular Weight

  • 220.005
 
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Names and Synonyms

Name of Substance

  • 4-Iodophenol
  • p-Iodophenol

Synonyms

  • 4-Hydroxyiodobenzene
  • 4-Hydroxyphenyl iodide
  • 4-Iodophenol
  • CCRIS 668
  • EINECS 208-745-5
  • Iodophenol
  • NSC 91464
  • p-Hydroxyiodobenzene
  • p-Iodophenol
  • Para-iodophenol
  • UNII-BH194BAK0B

Systematic Names

  • 4-Iodophenol
  • Phenol, 4-iodo-
  • Phenol, p-iodo-

Registry Numbers

CAS Registry Number

  • 540-38-5

FDA UNII

  • BH194BAK0B

Other Registry Number

  • 1779540-31-6

System Generated Number

  • 0000540385

Structure Descriptors

InChI

InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

VSMDINRNYYEDRN-UHFFFAOYSA-N

Smiles

Oc1ccc(I)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 700mg/kg (700mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 1154, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93.5 deg C   EXP
pKa Dissociation Constant 9.21 (none) 25 EXP
log P (octanol-water) 2.91 (none)   EXP
Water Solubility 428 mg/L 25 EST
Vapor Pressure 6.16E-03 mm Hg 25 EST
Henry's Law Constant 1.30E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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