5-Iodosalicylic acid - CAS 119-30-2
Catalog: |
BB004458 |
Product Name: |
5-Iodosalicylic acid |
CAS: |
119-30-2 |
Synonyms: |
2-hydroxy-5-iodobenzoic acid |
IUPAC Name: | 2-hydroxy-5-iodobenzoic acid |
Description: | 5-Iodosalicylic acid (CAS# 119-30-2) is a useful research chemical. |
Molecular Weight: | 264.02 |
Molecular Formula: | C7H5IO3 |
Canonical SMILES: | C1=CC(=C(C=C1I)C(=O)O)O |
InChI: | InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) |
InChI Key: | SWDNKOFGNPGRPI-UHFFFAOYSA-N |
Boiling Point: | 371.4 °C at 760 mmHg |
Density: | 2.155 g/cm3 |
Appearance: | White to slightly beige powder |
MDL: | MFCD00002458 |
LogP: | 1.69500 |
GHS Hazard Statement: | H315 (98.25%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
18155178 | 20080301 | Iodination of salicylic acid improves its binding to transthyretin | Biochimica et biophysica acta |
16087321 | 20051101 | Bupivacaine salts of diflunisal and other aromatic hydroxycarboxylic acids: aqueous solubility and release characteristics from solutions and suspensions using a rotating dialysis cell model | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
15450435 | 20041004 | Analysis of the involvement of human N-acetyltransferase 1 in the genotoxic activation of bladder carcinogenic arylamines using a SOS/umu assay system | Mutation research |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.92834 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.92834 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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