4-Bromoimidazole - CAS 2302-25-2

Catalog:	BB017865
Product Name:	4-Bromoimidazole
CAS:	2302-25-2
Synonyms:	5-bromo-1H-imidazole; 5-bromo-1H-imidazole

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Computed Properties

IUPAC Name:	5-bromo-1H-imidazole
Description:	4-Bromoimidazole (CAS# 2302-25-2) is a useful research chemical.
Molecular Weight:	146.97
Molecular Formula:	C3H3BrN2
Canonical SMILES:	C1=C(NC=N1)Br
InChI:	InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:	FHZALEJIENDROK-UHFFFAOYSA-N
Boiling Point:	324.7 °C at 760 mmHg
Density:	1.904 g/cm³
MDL:	MFCD00047021
LogP:	1.17220

Publication Number	Title	Priority Date
KR-20200094125-A	Solid dispersion for curing epoxy resin, epoxy resin composition comprising the dispersion and cured product thereof	20200729
CN-113368253-A	Drug carrier based on zeolite imidazole framework structure and preparation method and application thereof	20200310
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
WO-2021111124-A1	Polyheterocyclic compounds as mettl3 inhibitors	20191202

PMID	Publication Date	Title	Journal
20642456	20101001	Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors	The Biochemical journal
16342991	20051220	Inhibitive properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic iron corrosion	Langmuir : the ACS journal of surfaces and colloids
15323570	20040831	Investigations of photolysis and rebinding kinetics in myoglobin using proximal ligand replacements	Biochemistry

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GHS Hazard Statement:	H301 (95.56%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+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