5-Bromo-1-methylimidazole - CAS 1003-21-0

Catalog:	BB000173
Product Name:	5-Bromo-1-methylimidazole
CAS:	1003-21-0
Synonyms:	5-bromo-1-methylimidazole; 5-bromo-1-methylimidazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1-methylimidazole
Description:	5-Bromo-1-methylimidazole (CAS# 1003-21-0) is a useful research chemical.
Molecular Weight:	161.00
Molecular Formula:	C4H5BrN2
Canonical SMILES:	CN1C=NC=C1Br
InChI:	InChI=1S/C4H5BrN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChI Key:	HATLLUIOEIXWGD-UHFFFAOYSA-N
Boiling Point:	120 °C / 15 mmHg
Density:	1.69 g/cm³
Appearance:	White to tan crystalline solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD01632218
LogP:	1.18260

Publication Number	Title	Priority Date
WO-2021148420-A1	Novel heterocyclic compounds	20200122
WO-2021138298-A1	Malt1 modulators and uses thereof	20191230
WO-2021023888-A1	Isoquinoline derivatives as protein kinase inhibitors	20190808
WO-2020231739-A2	Compounds and methods for treating cancer	20190510
US-2020164024-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127

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GHS Hazard Statement:	H315 (95.35%): 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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1