Triiodobenzoic Acid - CAS 88-82-4
Catalog: |
BB039264 |
Product Name: |
Triiodobenzoic Acid |
CAS: |
88-82-4 |
Synonyms: |
2,3,5-TIBA; A 20812; Floraltone; Johnkolor; NSC 2582; TIB; TIBA |
Related CAS: | 17274-12-3 (hydrochloride salt)
|
IUPAC Name: | 2,3,5-triiodobenzoic acid |
Description: | Used as a plant growth regulator and controller. It suppresses somatic embryo formation and postembryonic shoot/root development in eleutherococcus senticosus. |
Molecular Weight: | 499.81 |
Molecular Formula: | C7H3I3O2 |
Canonical SMILES: | C1=C(C=C(C(=C1I)I)C(=O)O)I |
InChI: | InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12) |
InChI Key: | ZMZGFLUUZLELNE-UHFFFAOYSA-N |
Boiling Point: | 456.7±45.0 °C (Predicted) |
Melting Point: | 220-222 °C |
Purity: | ≥ 98 % |
Density: | 2.971 g/cm3 |
Solubility: | Slightly soluble in DMSO, Methanol |
Appearance: | Off-white to pale beige solid |
Storage: | Store at 2-8 °C |
Decomposition: | Hazardous decomposition products: carbon monoxide, Carbon dioxide, Hydrogen iodide |
MDL: | MFCD00002420 |
LogP: | 3.19860 |
Vapor Pressure: | 1.34X10-7 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
CN-113466281-A | Based on1Method for quantifying total ginsenoside in Shenmai injection by H qNMR | 20210629 |
JP-2021138753-A | Pest control method for harmful arthropods using heterocyclic compounds | 20210610 |
PMID | Publication Date | Title | Journal |
23083930 | 20130101 | Iodinated α-tocopherol nano-emulsions as non-toxic contrast agents for preclinical X-ray imaging | Biomaterials |
22522578 | 20120601 | Molecular cloning and characterization of the genes encoding an auxin efflux carrier and the auxin influx carriers associated with the adventitious root formation in mango (Mangifera indica L.) cotyledon segments | Plant physiology and biochemistry : PPB |
21751039 | 20120501 | Expression analysis of Clavata1-like and Nodulin21-like genes from Pinus sylvestris during ectomycorrhiza formation | Mycorrhiza |
22452854 | 20120501 | Xenobiotic- and jasmonic acid-inducible signal transduction pathways have become interdependent at the Arabidopsis CYP81D11 promoter | Plant physiology |
21926093 | 20120101 | Plastid signalling under multiple conditions is accompanied by a common defect in RNA editing in plastids | Journal of experimental botany |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 499.7267 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 499.7267 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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