2-Iodophenylacetic acid - CAS 18698-96-9
Catalog: |
BB014382 |
Product Name: |
2-Iodophenylacetic acid |
CAS: |
18698-96-9 |
Synonyms: |
2-(2-iodophenyl)acetic acid |
IUPAC Name: | 2-(2-iodophenyl)acetic acid |
Description: | 2-Iodophenylacetic acid (CAS# 18698-96-9) is a synthetic intermediate that is widely used in the chemical, pharmaceutical and cosmetic industries. 2-Iodophenylacetic acid is also used as a reagent to synthesize Cepharanone B, a natural and potentially antineoplastic aristolactam that is found in Piper longum (a medicinal plant native to India). |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CC(=O)O)I |
InChI: | InChI=1S/C8H7IO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | IUHXGZHKSYYDIL-UHFFFAOYSA-N |
Boiling Point: | 344.5 °C at 760 mmHg |
Density: | 1.885 g/cm3 |
Appearance: | Cream powder |
MDL: | MFCD00046546 |
LogP: | 1.91830 |
GHS Hazard Statement: | H315 (100%): 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 |
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PMID | Publication Date | Title | Journal |
19966921 | 20091118 | Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors | The open medicinal chemistry journal |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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