4-Bromo-2-methylimidazole - CAS 16265-11-5

Catalog:	BB011894
Product Name:	4-Bromo-2-methylimidazole
CAS:	16265-11-5
Synonyms:	5-bromo-2-methyl-1H-imidazole; 5-bromo-2-methyl-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methyl-1H-imidazole
Description:	4-Bromo-2-methylimidazole (CAS# 16265-11-5) is a useful research chemical.
Molecular Weight:	161.00
Molecular Formula:	C4H5BrN2
Canonical SMILES:	CC1=NC=C(N1)Br
InChI:	InChI=1S/C4H5BrN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)
InChI Key:	APLZLUYWLINBOZ-UHFFFAOYSA-N
Boiling Point:	333.9 °C at 760 mmHg
Density:	1.723 g/cm³
Appearance:	Solid
MDL:	MFCD03411959
LogP:	1.48060

Publication Number	Title	Priority Date
WO-2021127337-A1	Trpml modulators	20191219
CN-110746479-A	Compound and preparation method and application thereof	20191012
CN-110746479-B	Compound and preparation method and application thereof	20191012
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.96361
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2