2-Bromopyrazine - CAS 56423-63-3

Catalog:	BB029356
Product Name:	2-Bromopyrazine
CAS:	56423-63-3
Synonyms:	2-bromopyrazine

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Computed Properties

IUPAC Name:	2-bromopyrazine
Description:	2-Bromopyrazine (CAS# 56423-63-3) is a useful research chemical.
Molecular Weight:	158.98
Molecular Formula:	C4H3BrN2
Canonical SMILES:	C1=CN=C(C=N1)Br
InChI:	InChI=1S/C4H3BrN2/c5-4-3-6-1-2-7-4/h1-3H
InChI Key:	WGFCNCNTGOFBBF-UHFFFAOYSA-N
Boiling Point:	183 °C at 760 mmHg
Purity:	98 %
Density:	1.726 g/cm³
Appearance:	Colorless to yellow and colorless to brown-yellow and colorless to brown liquid
MDL:	MFCD08275680
LogP:	1.23910

Publication Number	Title	Priority Date
CN-113480545-A	Imidazopyrazinone compound and preparation method and application thereof	20210716
CN-112300135-A	Carbazole-azaheterocycle A-D-A type room temperature organic phosphorescent white light material	20201126
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
JP-2021150378-A	Photodetector	20200317

PMID	Publication Date	Title	Journal
20936789	20101111	Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (98.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.94796
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.94796
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9