2,6-Dichloropyrazine - CAS 4774-14-5

Catalog:	BB026379
Product Name:	2,6-Dichloropyrazine
CAS:	4774-14-5
Synonyms:	2,6-dichloropyrazine

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Computed Properties

IUPAC Name:	2,6-dichloropyrazine
Description:	2,6-Dichloropyrazine (CAS# 4774-14-5) is used in the preparation of pyrazine and pyridine compounds as ATR kinase inhibitors.
Molecular Weight:	148.98
Molecular Formula:	C4H2Cl2N2
Canonical SMILES:	C1=C(N=C(C=N1)Cl)Cl
InChI:	InChI=1S/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H
InChI Key:	LSEAAPGIZCDEEH-UHFFFAOYSA-N
Boiling Point:	187.5 °C at 760 mmHg
Purity:	97.0 %
Density:	1.493 g/cm³
MDL:	MFCD00006125
LogP:	1.78340

Publication Number	Title	Priority Date
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
US-2021085677-A1	Shp2 phosphatase inhibitors and methods of making and using the same	20190924
WO-2021058595-A1	Herbicidal compounds	20190924
WO-2021060281-A1	Prostaglandin e2 receptor ep2/ep4 dual antagonist	20190924

PMID	Publication Date	Title	Journal
22421707	20120514	Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly	Dalton transactions (Cambridge, England : 2003)
21080634	20101217	Syntheses and properties of two-dimensional, dicationic nonlinear optical chromophores based on pyrazinyl cores	The Journal of organic chemistry
21200733	20071206	1,3,5-Tris(6-chloro-pyrazin-2-yl-oxy)benzene	Acta crystallographica. Section E, Structure reports online
16153749	20051201	Synthesis of 2,6-diphenylpyrazine derivatives and their DNA binding and cytotoxic properties	European journal of medicinal chemistry
11442404	20010713	Dimetalation of pyrazines. a one-pot synthesis of multisubstituted pyrazine C-nucleosides	The Journal of organic chemistry

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Related Functional Groups

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[109838-85-9]
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[1256642-93-9]
2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one

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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:	70.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.9595035
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.9595035
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5