2,3-Dichloropyrazine - CAS 4858-85-9

Catalog:	BB026560
Product Name:	2,3-Dichloropyrazine
CAS:	4858-85-9
Synonyms:	2,3-dichloropyrazine

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Computed Properties

IUPAC Name:	2,3-dichloropyrazine
Description:	2,3-Dichloropyrazine (CAS# 4858-85-9) is a substrate used for an efficient synthesis of aloisine (A575450), a potent cyclin-dependent kinase.
Molecular Weight:	148.98
Molecular Formula:	C4H2Cl2N2
Canonical SMILES:	C1=CN=C(C(=N1)Cl)Cl
InChI:	InChI=1S/C4H2Cl2N2/c5-3-4(6)8-2-1-7-3/h1-2H
InChI Key:	MLCNOCRGSBCAGH-UHFFFAOYSA-N
Boiling Point:	105-107 °C (50 mmHg)
Purity:	97.0 %
Density:	1.431 g/cm³
MDL:	MFCD00040964
LogP:	1.78340

Publication Number	Title	Priority Date
CN-113318078-A	Preparation method of sulfachloropyrazine sodium and trimethoprim soluble powder	20210609
CN-113024509-A	Preparation method of key intermediate of 3-bromo-1- (3-chloro-2-pyridyl) -1H-imidazole-5-formic acid	20210208
CN-112851587-A	Alkyne heterocyclic compound for treating cancer and preparation method and application thereof	20210121
CN-112038632-A	Carbon-oxazine composite water-based negative electrode material and application thereof	20200918
CN-111606920-A	Synthesis method of 7-bromothieno [2,3-B ] pyrazine	20200529

PMID	Publication Date	Title	Journal
21582292	20090227	2-(3-Chloro-1,2-dihydro-pyrazin-2-yl-idene)malononitrile	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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[2034430-99-2]
4-amino-N-(5-chloropyrazin-2-yl)benzenesulfonamide hydrochloride
[109838-85-9]
(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
[1006491-92-4]
3-(Hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
[1364663-32-0]
5-Chloro-3-(trifluoromethyl)pyrazin-2-amine

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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:	68.4
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:	1.7