2-Amino-3,5-dichloropyrazine - CAS 873-42-7

Name: 2-Amino-3,5-dichloropyrazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038388
Product Name:	2-Amino-3,5-dichloropyrazine
CAS:	873-42-7
Synonyms:	3,5-dichloro-2-pyrazinamine; 3,5-dichloropyrazin-2-amine

Technical Data

IUPAC Name:	3,5-dichloropyrazin-2-amine
Description:	2-Amino-3,5-dichloropyrazine (CAS# 873-42-7) is used in the synthesis of pyrazinones as inhibitors of protein kinases, which play a key role in the progression of cancer. It is also used in the synthesis of N-substituted pyrazines by tandem reaction ofo-aminohalopyrazines with isothiocyanates.
Molecular Weight:	163.99
Molecular Formula:	C4H3Cl2N3
Canonical SMILES:	C1=C(N=C(C(=N1)N)Cl)Cl
InChI:	InChI=1S/C4H3Cl2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChI Key:	AMRVETKYGCRGPJ-UHFFFAOYSA-N
Boiling Point:	275.564 °C at 760 mmHg
Density:	1.607 g/cm³
MDL:	MFCD11040179
LogP:	1.94680

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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WO-2021070132-A1	Bi-aryl dihydroorotate dehydrogenase inhibitors	20191010
WO-2021026099-A1	Kif18a inhibitors	20190802
WO-2020180768-A1	Bicyclic heteroaryl compounds and uses thereof	20190301
WO-2019243303-A1	Pyridinyl and pyrazinyl-(aza)indolsulfonamides	20180619
TW-202016088-A	Pyridyl and pyryl-(nitrogen) indosulfonamide	20180619

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.9704025
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.9704025
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4