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Substance Name: 4-Iodobenzoic acid
RN: 619-58-9
UNII: IPO4LYQ1EN
InChIKey: GHICCUXQJBDNRN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H5-I-O2

Molecular Weight

  • 248.014
 
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Names and Synonyms

Name of Substance

  • 4-Iodobenzoic acid

Synonyms

  • 4-27-00-07537 (Beilstein Handbook Reference)
  • 4-Iodobenzoic acid
  • 4-Jodbenzoesaeure
  • 4-Jodbenzoesaeure [German]
  • BRN 1860232
  • EINECS 210-603-2
  • NSC 3773
  • p-Iodobenzenecarboxylic acid
  • p-Iodobenzoic acid
  • UNII-IPO4LYQ1EN

Systematic Names

  • 4-Iodobenzoic acid
  • Benzoic acid, 4-iodo-
  • Benzoic acid, p-iodo-

Registry Numbers

CAS Registry Number

  • 619-58-9

FDA UNII

  • IPO4LYQ1EN

System Generated Number

  • 0000619589

Structure Descriptors

InChI

1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

GHICCUXQJBDNRN-UHFFFAOYSA-N

Smiles

c1(C(O)=O)ccc(I)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2500mg/kg (2500mg/kg)   Pharmazie. Vol. 12, Pg. 415, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 270 deg C   EXP
pKa Dissociation Constant 3.997 (none) 25 EXP
log P (octanol-water) 3.02 (none)   EXP
Water Solubility 27 mg/L 25 EXP
Vapor Pressure 1.98E-04 mm Hg 25 EST
Henry's Law Constant 2.51E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.96E-13 cm3/molecule-sec 25 EST

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