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Substance Name: 2,3,5-Triiodobenzoic acid
RN: 88-82-4
UNII: H575A4059Q
InChIKey: ZMZGFLUUZLELNE-UHFFFAOYSA-N

Note

  • Inhibitor of auxin transport.

Molecular Formula

  • C7-H3-I3-O2

Molecular Weight

  • 499.7987
 

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Growth Regulator / Fertilizer
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Names and Synonyms

Name of Substance

  • 2,3,5-Triiodobenzoic acid

Synonyms

  • 2,3,5-TIBA
  • 2,3,5-Triiodobenzoic acid
  • 4-09-00-01044 (Beilstein Handbook Reference)
  • A 20812
  • AI3-27442
  • BRN 1955088
  • Caswell No. 890A
  • EINECS 201-859-6
  • EPA Pesticide Chemical Code 009104
  • Floraltone
  • HSDB 7575
  • Johnkolor
  • Kyselina 2,3,5-trijodbenzoova
  • Kyselina 2,3,5-trijodbenzoova [Czech]
  • NSC 2582
  • TIB
  • TIBA
  • Triiodobenzoic acid
  • Triiodobenzoic acid (VAN)
  • UNII-H575A4059Q

Systematic Names

  • 2,3,5-Triiodobenzoic acid
  • Benzoic acid, 2,3,5-triiodo-

Registry Numbers

CAS Registry Number

  • 88-82-4

FDA UNII

  • H575A4059Q

Related Registry Number

  • 17274-12-3 (hydrochloride salt)

System Generated Number

  • 0000088824

Structure Descriptors

InChI

1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)

InChIKey

ZMZGFLUUZLELNE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse LD50 intravenous > 200mg/kg (200mg/kg)   Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957.
mouse LD50 oral 700mg/kg (700mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.
rat LD50 oral 813mg/kg (813mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 504, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.030 (none)   EST
Water Solubility 0.036 mg/L 25 EST
Vapor Pressure 1.34E-07 mm Hg 25 EST
Henry's Law Constant 1.35E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.96E-13 cm3/molecule-sec 25 EST

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