Pyridazine - CAS 289-80-5

Catalog:	BB020033
Product Name:	Pyridazine
CAS:	289-80-5
Synonyms:	pyridazine

Technical Data

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Computed Properties

IUPAC Name:	pyridazine
Description:	Pyridazine (CAS# 289-80-5) is a useful research chemical compound.
Molecular Weight:	80.09
Molecular Formula:	C4H4N2
Canonical SMILES:	C1=CC=NN=C1
InChI:	InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
InChI Key:	PBMFSQRYOILNGV-UHFFFAOYSA-N
Boiling Point:	208 °C
Melting Point:	-8 °C
Purity:	95 %
Density:	1.103 g/cm³
Appearance:	Colorless to brown liquid
Storage:	Refrigerator
MDL:	MFCD00006463
LogP:	0.47660

Publication Number	Title	Priority Date
WO-2015197860-A2	Novel thapsigargin analogues and methods of preparing them	20140627
US-2015361100-A1	Indolizine derivatives as phoshoinositide 3-kinases inhibitors	20140617
WO-2015193263-A1	Indolizine derivatives as phoshoinositide 3-kinases inhibitors	20140617
WO-2015193740-A2	Therapeutic combinations of a btk inhibitor, a pi3k inhibitor and/or a jak-2 inhibitor	20140617
US-2015361087-A1	Antiviral compounds	20140612

PMID	Publication Date	Title	Journal
24224729	20140313	Imidazopyridazine hepatitis C virus polymerase inhibitors. Structure-activity relationship studies and the discovery of a novel, traceless prodrug mechanism	Journal of medicinal chemistry
23415090	20130401	Synthesis and biological evaluation of pyridazine derivatives as novel HIV-1 NNRTIs	Bioorganic & medicinal chemistry
23079522	20121201	Design, synthesis and SAR analysis of novel potent and selective small molecule antagonists of NPBWR1 (GPR7)	Bioorganic & medicinal chemistry letters
23124446	20121101	Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?	Acta crystallographica. Section C, Crystal structure communications
22969605	20120901	1-[4-(4-Chloro-phen-yl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydro-pyridazin-1-yl)propan-1-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Pyridazines

[92920-33-7]
3,6-Dichloro-4-fluoropyridazine
[19064-64-3]
3,6-Dichloro-4-methylpyridazine
[50681-25-9]
4-Pyridazinecarboxylic acid
[2163817-03-4]
4-(4,5-Dibromo-6-oxo-1,6-dihydropyridazin-1-yl)benzene-1-sulfonamide
[1120-88-3]
4-Methylpyridazine
[1440965-10-5]
3-Chloro-6-(1-cyclopropyl-4-pyrazolyl)pyridazine

GHS Hazard Statement:	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	30.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	80.03744813600001
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	80.03744813600001
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7