3-Iodo-4-methylbenzoic acid - CAS 82998-57-0
Catalog: |
BB036945 |
Product Name: |
3-Iodo-4-methylbenzoic acid |
CAS: |
82998-57-0 |
Synonyms: |
Benzoic acid, 3-iodo-4-methyl- |
IUPAC Name: | 3-iodo-4-methylbenzoic acid |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)O)I |
InChI: | InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | LDDHMKANNXWUAK-UHFFFAOYSA-N |
Boiling Point: | 355.2±30.0°C at 760 mmHg |
Melting Point: | 208-210°C |
Purity: | 95% |
Density: | 1.867±0.06 g/cm3 |
Solubility: | Soluble in Ethanol, Methanol |
Appearance: | Beige to brown crystalline powder |
Storage: | Store at RT |
MDL: | MFCD00010392 |
LogP: | 2.29780 |
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 |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2021048567-A1 | New compounds and methods | 20190911 |
WO-2020260871-A1 | New compounds and methods | 20190624 |
WO-2020214999-A1 | Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases | 20190417 |
WO-2020206583-A1 | Kinase inhibitors and uses thereof | 20190408 |
PMID | Publication Date | Title | Journal |
11353542 | 20010501 | A polar substituent-containing acylation agent for the radioiodination of internalizing monoclonal antibodies: N-succinimidyl 4-guanidinomethyl-3-[131I]iodobenzoate ([131I]SGMIB) | Bioconjugate chemistry |
Complexity: | 158 |
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: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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