4,5-Diiodoimidazole - CAS 15813-09-9

Catalog:	BB011393
Product Name:	4,5-Diiodoimidazole
CAS:	15813-09-9
Synonyms:	4,5-diiodo-1H-imidazole; 4,5-diiodo-1H-imidazole

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Computed Properties

IUPAC Name:	4,5-diiodo-1H-imidazole
Description:	4,5-Diiodoimidazole (CAS# 15813-09-9) is a useful research chemical.
Molecular Weight:	319.87
Molecular Formula:	C3H2I2N2
Canonical SMILES:	C1=NC(=C(N1)I)I
InChI:	InChI=1S/C3H2I2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChI Key:	XMWPTVMTXKJONE-UHFFFAOYSA-N
Boiling Point:	436.9 °C at 760 mmHg
Density:	3.042 g/cm³
MDL:	MFCD00963878
LogP:	1.61890

Publication Number	Title	Priority Date
CN-112581856-A	Temperature indicating label	20201229
CN-112321512-A	Synthesis method of 4, 5-diiodo-1H-imidazole	20201125
CN-110938036-A	Preparation method of 4-iodine-1H-imidazole	20191224
US-2021115010-A1	Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease	20191021
WO-2021081074-A1	Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease	20191021

PMID	Publication Date	Title	Journal
22347144	20120201	4,5-Diiodo-2-phenyl-1H-imidazole	Acta crystallographica. Section E, Structure reports online
20221521	20100328	Concise total synthesis of naamine G and naamidine H	Chemical communications (Cambridge, England)

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Related Functional Groups

Imidazoles

[54004-47-6]
1-Tetradecylimidazole
[676372-30-8]
1-Benzyl-1H-imidazole-4-carboxylic acid
[5317-07-7]
1-Benzyl-1H-imidazole-5-carboxylic acid
[64038-58-0]
1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
[1855890-25-3]
Ethyl 1-isopropyl-4-methyl-1H-imidazole-2-carboxylate
[1692391-54-0]
Ethyl 1-propyl-1H-imidazole-2-carboxylate

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GHS Hazard Statement:	H302 (100%): 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:	68
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	319.83074
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	319.83074
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4