4-Bromo-1,2-dimethylimidazole - CAS 850429-59-3

Catalog:	BB037425
Product Name:	4-Bromo-1,2-dimethylimidazole
CAS:	850429-59-3
Synonyms:	4-bromo-1,2-dimethylimidazole; 4-bromo-1,2-dimethylimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1,2-dimethylimidazole
Description:	4-Bromo-1,2-dimethylimidazole (CAS# 850429-59-3) is a useful research chemical.
Molecular Weight:	175.03
Molecular Formula:	C5H7BrN2
Canonical SMILES:	CC1=NC(=CN1C)Br
InChI:	InChI=1S/C5H7BrN2/c1-4-7-5(6)3-8(4)2/h3H,1-2H3
InChI Key:	FZRKTLGQQTWOMJ-UHFFFAOYSA-N
Boiling Point:	266.6 °C at 760 mmHg
Density:	1.58 g/cm³
LogP:	1.49100

Publication Number	Title	Priority Date
WO-2021147882-A1	Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof	20200121
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315
AU-2017260125-A9	Aromatic sulfonamide derivatives	20160503

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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:	86.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.97926
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6