2-Bromo-1,4-dimethylimidazole - CAS 235426-30-9

Catalog:	BB018089
Product Name:	2-Bromo-1,4-dimethylimidazole
CAS:	235426-30-9
Synonyms:	2-bromo-1,4-dimethylimidazole; 2-bromo-1,4-dimethylimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1,4-dimethylimidazole
Description:	2-Bromo-1,4-dimethylimidazole (CAS# 235426-30-9) is a useful research chemical.
Molecular Weight:	175.03
Molecular Formula:	C5H7BrN2
Canonical SMILES:	CC1=CN(C(=N1)Br)C
InChI:	InChI=1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChI Key:	JKVMBWITGAWCIG-UHFFFAOYSA-N
Boiling Point:	253.6 °C at 760 mmHg
Density:	1.58 g/cm³
Appearance:	Solid
LogP:	1.49100

Publication Number	Title	Priority Date
CN-113474346-A	Composition for inhibiting ubiquitin-specific protease 1	20181228
AU-2017345736-A1	TYK2 inhibitors and uses thereof	20161021
JP-2019535673-A	TYK2 inhibitors and uses thereof	20161021
TW-201827429-A	TYK2 inhibitor and its use	20161021
US-10647713-B2	TYK2 inhibitors and uses thereof	20161021

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	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:	1.4