2-Chloropyrazine - CAS 14508-49-7

Catalog:	BB009875
Product Name:	2-Chloropyrazine
CAS:	14508-49-7
Synonyms:	2-chloropyrazine

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Computed Properties

IUPAC Name:	2-chloropyrazine
Description:	2-Chloropyrazine (CAS# 14508-49-7) is used as a reagent in the synthesis of hetaryloxy benzoxaborole compounds which have antimalarial activity. 2-Chloropyrazine is also used to prepare 4,5-disubstituted 6-aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles which are broad-spectrum serine β-lactamase inhibitors.
Molecular Weight:	114.53
Molecular Formula:	C4H3ClN2
Canonical SMILES:	C1=CN=C(C=N1)Cl
InChI:	InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H
InChI Key:	GELVZYOEQVJIRR-UHFFFAOYSA-N
Boiling Point:	153-154 °C
Purity:	98 %
Density:	1.28 g/cm³
MDL:	MFCD00006124
LogP:	1.13000

Publication Number	Title	Priority Date
CN-113425604-A	Pulp capping agent, composition and application thereof	20210625
CN-113121457-A	Synthesis process of Favipiravir intermediate 3, 6-dichloro-2-cyanopyrazine	20210423
CN-112358484-A	Preparation method of sitagliptin intermediate	20201110
CN-112174878-A	Method and device for preparing 2, 6-dichloropyridine by stepwise photochlorination of pyridine	20201004
WO-2021210650-A1	Aryl or heteroaryl derivative	20200416

PMID	Publication Date	Title	Journal
22890246	20121021	A highly efficient and aerobic protocol for the synthesis of N-heteroaryl substituted 9-arylcarbazolyl derivatives via a palladium-catalyzed ligand-free Suzuki reaction	Organic & biomolecular chemistry
22259340	20120101	Bis{2-[(pyridin-4-yl-κN)sulfan-yl]pyrazine}-silver(I) tetra-fluoridoborate	Acta crystallographica. Section E, Structure reports online
22220093	20111101	2-(2-Meth-oxy-phen-oxy)pyrazine	Acta crystallographica. Section E, Structure reports online
20200704	20100321	Synthesis, structure, and magnetic properties of bis(monosubstituted-pyrazine)dihalocopper(II)	Dalton transactions (Cambridge, England : 2003)
19719188	20090806	Regio- and chemoselective multiple functionalization of chloropyrazine derivatives. Application to the synthesis of coelenterazine	Organic letters

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GHS Hazard Statement:	H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.9984758
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.9984758
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7