3,6-Dichloro-4-(trifluoromethyl)pyridazine - CAS 1057672-68-0

Catalog:	BB001712
Product Name:	3,6-Dichloro-4-(trifluoromethyl)pyridazine
CAS:	1057672-68-0
Synonyms:	3,6-dichloro-4-(trifluoromethyl)pyridazine

Technical Data

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Computed Properties

IUPAC Name:	3,6-dichloro-4-(trifluoromethyl)pyridazine
Description:	3,6-Dichloro-4-(trifluoromethyl)pyridazine (CAS# 1057672-68-0) is a useful research chemical.
Molecular Weight:	216.98
Molecular Formula:	C5HCl2F3N2
Canonical SMILES:	C1=C(C(=NN=C1Cl)Cl)C(F)(F)F
InChI:	InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)4(7)12-11-3/h1H
InChI Key:	FCAYXJJTFRBHIQ-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD08704310
LogP:	2.80220

Publication Number	Title	Priority Date
WO-2021119254-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
WO-2021018857-A1	3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents	20190729
US-2020361898-A1	Nlrp3 inflammasome inhibitors	20190517
US-2020361899-A1	Nlrp3 inflammasome inhibitors	20190517
WO-2020234715-A1	Nlrp3 inflammasome inhibitors	20190517

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.9468879
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.9468879
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7