2-Bromoimidazole - CAS 16681-56-4

Catalog:	BB012316
Product Name:	2-Bromoimidazole
CAS:	16681-56-4
Synonyms:	2-bromo-1H-imidazole; 2-bromo-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1H-imidazole
Description:	2-Bromoimidazole (CAS# 16681-56-4) is a useful research chemical.
Molecular Weight:	146.97
Molecular Formula:	C3H3BrN2
Canonical SMILES:	C1=CN=C(N1)Br
InChI:	InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChI Key:	AXHRGVJWDJDYPO-UHFFFAOYSA-N
Boiling Point:	273.1 °C at 760 mmHg
Density:	1.904 g/cm³
MDL:	MFCD02179526
LogP:	1.17220

Publication Number	Title	Priority Date
CN-113517470-A	High-nickel high-voltage ternary lithium ion battery non-aqueous electrolyte and lithium ion battery	20210513
CN-112267031-A	Phosphate ionic liquid, preparation method, application and extraction method thereof	20201010
CN-111735865-A	Glucose biosensor based on amino acid ionic liquid and preparation method thereof	20200630
CN-111689981-A	Method for extracting 1, 8-cineole from tea tree oil	20200521
CN-111437211-A	Application of zinc metal organic framework ZIF-8	20200429

PMID	Publication Date	Title	Journal
22399973	20090101	Fabrication of a Multi-Walled Nanotube (MWNT) Ionic Liquid Electrode and Its Application for Sensing Phenolics in Red Wines	Sensors (Basel, Switzerland)
16599614	20060414	Explorations on the total synthesis of the unusual marine alkaloid chartelline A	The Journal of organic chemistry
15950194	20050801	Orientation of oxazolidinones in the active site of monoamine oxidase	Biochemical pharmacology

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.94796
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.94796
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1