2-Bromo-4-nitroimidazole - CAS 65902-59-2

Catalog:	BB032855
Product Name:	2-Bromo-4-nitroimidazole
CAS:	65902-59-2
Synonyms:	2-bromo-5-nitro-1H-imidazole; 2-bromo-5-nitro-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-nitro-1H-imidazole
Description:	2-Bromo-4-nitroimidazole (CAS# 65902-59-2) is a useful research chemical.
Molecular Weight:	191.97
Molecular Formula:	C3H2BrN3O2
Canonical SMILES:	C1=C(NC(=N1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C3H2BrN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)
InChI Key:	UWRJWMLKEHRGOH-UHFFFAOYSA-N
Boiling Point:	402.5 °C at 760 mmHg
Density:	2.156 g/cm³
MDL:	MFCD09025308
LogP:	1.60360

Publication Number	Title	Priority Date
CN-112581856-A	Temperature indicating label	20201229
CN-110817843-A	Eutectic solvent, application thereof, carbon quantum dot and preparation method thereof	20191127
CN-110817843-B	Eutectic solvent, application thereof, carbon quantum dot and preparation method thereof	20191127
WO-2021101927-A1	Wdr5-myc inhibitors	20191118
KR-102220957-B1	Quantum dots in which ionic liquids are ion-bonded and their preparation method	20191112

PMID	Publication Date	Title	Journal
28462832	20170601	6-Nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazoles: Facile synthesis and comparative appraisal against tuberculosis and neglected tropical diseases	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.93304
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.93304
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2