2-Amino-3-bromo-6-chloropyrazine - CAS 212779-21-0

Catalog:	BB016746
Product Name:	2-Amino-3-bromo-6-chloropyrazine
CAS:	212779-21-0
Synonyms:	3-bromo-6-chloro-2-pyrazinamine; 3-bromo-6-chloropyrazin-2-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-bromo-6-chloropyrazin-2-amine
Description:	2-Amino-3-bromo-6-chloropyrazine (CAS# 212779-21-0) is a useful research chemical.
Molecular Weight:	208.44
Molecular Formula:	C4H3BrClN3
Canonical SMILES:	C1=C(N=C(C(=N1)Br)N)Cl
InChI:	InChI=1S/C4H3BrClN3/c5-3-4(7)9-2(6)1-8-3/h1H,(H2,7,9)
InChI Key:	BOLCKGGORFPPJC-UHFFFAOYSA-N
Boiling Point:	299.5 °C at 760 mmHg
Density:	1.96 g/cm³
LogP:	2.05590

Publication Number	Title	Priority Date
CN-113493440-A	Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof	20200403
WO-2021197452-A1	Crystal form of free alkali of nitrogen-containing aromatic derivatives	20200403
WO-2021073439-A1	Pyrazine derivative for inhibiting shp2 activity	20191014
CN-112645966-A	Organic compound, light-emitting device, light-emitting apparatus, electronic device, and lighting apparatus	20191011
JP-2021063065-A	Organic compounds, light emitting devices, light emitting devices, electronic devices and lighting devices	20191011

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.91989
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.91989
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4