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Substance Name: 3-Iodobenzoic acid
RN: 618-51-9
InChIKey: KVBWBCRPWVKFQT-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-I-O2

Molecular Weight

  • 248.014
 
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Names and Synonyms

Name of Substance

  • 3-Iodobenzoic acid

Synonyms

  • 3-Iodobenzoic acid
  • EINECS 210-555-2
  • m-Iodobenzoic acid
  • NSC 74693

Systematic Names

  • 3-Iodobenzoic acid
  • Benzoic acid, 3-iodo-
  • Benzoic acid, m-iodo- (8CI)

Registry Numbers

CAS Registry Number

  • 618-51-9

Related Registry Number

  • 2532-18-5 (hydrochloride salt)

System Generated Number

  • 0000618519

Structure Descriptors

InChI

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

InChIKey

KVBWBCRPWVKFQT-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)I)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 188.3 deg C   EXP
pKa Dissociation Constant 3.85 (none) 25 EXP
log P (octanol-water) 3.13 (none)   EXP
Water Solubility 133 mg/L 15 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 8.71E-13 cm3/molecule-sec 25 EST

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