4-Iodoimidazole - CAS 71759-89-2

Catalog:	BB034472
Product Name:	4-Iodoimidazole
CAS:	71759-89-2
Synonyms:	5-iodo-1H-imidazole; 5-iodo-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	4-Iodo-1H-imidazole
Description:	Imidazole rings are found in numberous natural compounds such as enzymes, nucleic acid, and alkaloids that play a role in biological processes.
Molecular Weight:	193.97
Molecular Formula:	C3H3IN2
Canonical SMILES:	C1=C(NC=N1)I
InChI:	InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:	BHCMXJKPZOPRNN-UHFFFAOYSA-N
Boiling Point:	348.468 °C at 760 mmHg
Density:	2.336 g/cm³
Appearance:	White to pale yellow solid
MDL:	MFCD01632213
LogP:	1.01430

Publication Number	Title	Priority Date
CN-112581856-A	Temperature indicating label	20201229
US-2021284805-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
WO-2021178573-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
CN-110938036-A	Preparation method of 4-iodine-1H-imidazole	20191224
CN-110818639-A	Synthesis method of N-imido imidazole compound	20191127

PMID	Publication Date	Title	Journal
20098609	20091201	Marine pyrrolocarbazoles and analogues: synthesis and kinase inhibition	Marine drugs
17283796	20061121	Mild and rational synthesis of palladium complexes comprising C(4)-bound N-heterocyclic carbenes	Chemical communications (Cambridge, England)
12914460	20030820	New base pairing motifs. The synthesis and thermal stability of oligodeoxynucleotides containing imidazopyridopyrimidine nucleosides with the ability to form four hydrogen bonds	Journal of the American Chemical Society
12576660	20030201	Synthesis of granulatimide positional analogues	Chemical & pharmaceutical bulletin
12045354	20020601	New synthetic route to granulatimide and its structural analogues	Chemical & pharmaceutical bulletin

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GHS Hazard Statement:	H302 (84.44%): 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

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.93410
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.93410
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5