4-Bromo-5-methylimidazole - CAS 15813-08-8

Catalog:	BB011392
Product Name:	4-Bromo-5-methylimidazole
CAS:	15813-08-8
Synonyms:	4-bromo-5-methyl-1H-imidazole; 4-bromo-5-methyl-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-5-methyl-1H-imidazole
Description:	4-Bromo-5-methylimidazole (CAS# 15813-08-8) is a useful research chemical.
Molecular Weight:	161.00
Molecular Formula:	C4H5BrN2
Canonical SMILES:	CC1=C(N=CN1)Br
InChI:	InChI=1S/C4H5BrN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChI Key:	APWKDMLCPWYWKA-UHFFFAOYSA-N
Boiling Point:	328.476 °C at 760 mmHg
Density:	1.723 g/cm³
Appearance:	Solid
LogP:	1.48060

Publication Number	Title	Priority Date
WO-2021074429-A1	Compounds for targeted degradation of carrier proteins and uses thereof	20191016
WO-2021074429-A9	Compounds for targeted degradation of carrier proteins and uses thereof	20191016
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315

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Related Functional Groups

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[70851-51-3]
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[832134-28-8]
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1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid
[39070-14-9]
1-Methyl-2-nitro-1H-imidazole-5-methanol

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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:	1.5