2-Fluoro-4-iodoaniline - CAS 29632-74-4

Name: 2-Fluoro-4-iodoaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

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