2-Amino-3-bromopyrazine - CAS 21943-12-4

Catalog:	BB017213
Product Name:	2-Amino-3-bromopyrazine
CAS:	21943-12-4
Synonyms:	3-bromo-2-pyrazinamine; 3-bromopyrazin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	3-bromopyrazin-2-amine
Description:	2-Amino-3-bromopyrazine (CAS# 21943-12-4) is a substituted pyrazine derivative, that can be potentially used in chemical synthesis.
Molecular Weight:	174.00
Molecular Formula:	C4H4BrN3
Canonical SMILES:	C1=CN=C(C(=N1)N)Br
InChI:	InChI=1S/C4H4BrN3/c5-3-4(6)8-2-1-7-3/h1-2H,(H2,6,8)
InChI Key:	BFEUGUAUYFATRV-UHFFFAOYSA-N
Boiling Point:	275.603 °C at 760 mmHg
Density:	1.844 g/cm³
Appearance:	Solid
MDL:	MFCD09909692
LogP:	1.40250

Publication Number	Title	Priority Date
CN-112851639-A	2-amino-5-heteroaryl substituted pyrazine derivative and application thereof	20210218
US-2021040115-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809
WO-2021029632-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809
CN-111909215-A	Organometallic compound and organic light emitting device including the same	20190510
EP-3736278-A1	Organometallic compound and organic light-emitting device including the same	20190510

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.95886
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5