3-Amino-4-bromo-6-chloropyridazine - CAS 446273-59-2

Catalog:	BB025665
Product Name:	3-Amino-4-bromo-6-chloropyridazine
CAS:	446273-59-2
Synonyms:	4-bromo-6-chloro-3-pyridazinamine; 4-bromo-6-chloropyridazin-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-6-chloropyridazin-3-amine
Description:	3-Amino-4-bromo-6-chloropyridazine (CAS# 446273-59-2) is a compound involved in the preparation of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.
Molecular Weight:	208.44
Molecular Formula:	C4H3BrClN3
Canonical SMILES:	C1=C(C(=NN=C1Cl)N)Br
InChI:	InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChI Key:	FGOWNGCSUSKHQI-UHFFFAOYSA-N
Boiling Point:	385.369 ℃ at 760 mmHg
Purity:	97.0 %
Density:	1.96 g/cm³
Appearance:	Pale yellow to yellow brown solid
LogP:	2.05590

Publication Number	Title	Priority Date
CN-112645885-A	Iminopyridazine derivative, preparation method and application thereof, and pesticide	20210113
WO-2021207291-A1	Compounds and uses thereof	20200406
WO-2021142247-A1	Smarca2-vhl degraders	20200110
WO-2021133917-A1	Smarca inhibitors and uses thereof	20191223
CN-113004285-A	Heterocyclic compound and pharmaceutical composition, preparation method, intermediate and application thereof	20191220

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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:	1.1