2-Fluoro-4-iodoaniline - CAS 29632-74-4
Catalog: |
BB020257 |
Product Name: |
2-Fluoro-4-iodoaniline |
CAS: |
29632-74-4 |
Synonyms: |
2-fluoro-4-iodoaniline |
IUPAC Name: | 2-fluoro-4-iodoaniline |
Description: | 2-Fluoro-4-iodoaniline (CAS# 29632-74-4) is widely used in the pharmaceutical, chemical and food industries as a fundamental building block to create a variety of important compounds. 2-Fluoro-4-iodoaniline is mostly known as a moiety of TAK-733, a selective inhibitor of mitogen-activated or extracellular signal-regulated protein kinase kinase 2 (MEK2). |
Molecular Weight: | 237.01 |
Molecular Formula: | C6H5FIN |
Canonical SMILES: | C1=CC(=C(C=C1I)F)N |
InChI: | InChI=1S/C6H5FIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2 |
InChI Key: | CUMTUBVTKOYYOU-UHFFFAOYSA-N |
Boiling Point: | 259 °C |
Melting Point: | 51-57 °C |
Purity: | 95 % |
Density: | 2.008 g/cm3 |
Appearance: | Off-white to brown powder |
MDL: | MFCD00011738 |
LogP: | 2.59370 |
GHS Hazard Statement: | H302 (12.5%): 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 |
US-11066358-B1 | Compositions of essentially pure form IV of N-((R)-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof | 20210217 |
US-11084780-B1 | Crystalline solids of MEK inhibitor N-((R)-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof | 20210217 |
CN-112827368-A | Anti-pollution reverse osmosis membrane and preparation method thereof | 20210107 |
CN-112280025-B | High-stability quantum dot hybrid nanostructure, QLED device and preparation method thereof | 20201230 |
JP-2021006572-A | Aminonaphthoquinone compounds, and pharmaceutical compositions for blocking the ubiquitination-proteasome system in disease | 20201005 |
PMID | Publication Date | Title | Journal |
18033635 | 20071201 | Metabolism of 2-fluoro-4-iodoaniline in earthworm Eisenia veneta using (19)F-NMR spectroscopy, HPLC-MS, and HPLC-ICPMS ((127)I) | Xenobiotica; the fate of foreign compounds in biological systems |
12876685 | 20030101 | High-performance liquid chromatography/inductively coupled plasma mass spectrometry with iodine-specific detection for profiling the metabolites produced in the earthworm Eisenia veneta by exposure to 2-fluoro-4-iodoaniline | Rapid communications in mass spectrometry : RCM |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.94507 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.94507 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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