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Substance Name: 2-Iodobenzoic acid
RN: 88-67-5
UNII: 7Q00V80J7Q
InChIKey: CJNZAXGUTKBIHP-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-I-O2

Molecular Weight

  • 248.0145
 
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Names and Synonyms

Name of Substance

  • 2-Iodobenzoic acid

Synonyms

  • 2-Iodobenzoic acid
  • 4-27-00-07537 (Beilstein Handbook Reference)
  • AI3-01811
  • BRN 1861406
  • EINECS 201-850-7
  • Kyselina o-jodbenzoova
  • Kyselina o-jodbenzoova [Czech]
  • NSC 3772
  • o-Iodobenzoic acid
  • UNII-7Q00V80J7Q
  • USAF EK-572

Systematic Names

  • 2-(Iodo-(125)I)-benzoic acid
  • 2-Iodobenzoic acid
  • Benzoic acid, 2-iodo-
  • Benzoic acid, o-iodo-

Registry Numbers

CAS Registry Number

  • 88-67-5

FDA UNII

  • 7Q00V80J7Q

Related Registry Number

  • 2532-17-4 (mono-hydrochloride salt)

System Generated Number

  • 0000088675

Structure Descriptors

InChI

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

InChIKey

CJNZAXGUTKBIHP-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)O)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 1500mg/kg (1500mg/kg)   Pharmazie. Vol. 12, Pg. 415, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163 deg C   EXP
pKa Dissociation Constant 2.93 (none) 20 EXP
log P (octanol-water) 2.4 (none)   EXP
Water Solubility 461 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 9.96E-13 cm3/molecule-sec 25 EST

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