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88-82-4

88-82-4 structural image
Product Name: 2,3,5-Triiodobenzoic acid
Formula: C7H3I3O2
Synonyms: TIBA
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White to off-white amorphous powder
Melting Point 225 °C
Solubility Insoluble in water; slightly soluble in benzene; very soluble in ethanol, ether
Decomposition Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Hydrogen iodide.
Polymerization Hazardous Polymerization: Will not occur
Dissociation Constants pKa = approximately 1.5

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 499.81 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 499.7267 g/mol
Monoisotopic Mass 499.7267 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 186
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2,3,5-triiodobenzoic acid is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 2, 3 and 5 are replaced by iodine atoms. It is an auxin polar transport inhibitor. It has a role as a member of antiauxins. It is an organoiodine compound and a member of benzoic acids.

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