3,4,6-Trichloropyridazine - CAS 6082-66-2

Catalog:	BB030824
Product Name:	3,4,6-Trichloropyridazine
CAS:	6082-66-2
Synonyms:	3,4,6-trichloropyridazine; 3,4,6-trichloropyridazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4,6-trichloropyridazine
Description:	3,4,6-Trichloropyridazine was used to study chloropyridazine derivatives as human rhinovirus capsid-binding inhibitors.
Molecular Weight:	183.42
Molecular Formula:	C4HCl3N2
Canonical SMILES:	C1=C(C(=NN=C1Cl)Cl)Cl
InChI:	InChI=1S/C4HCl3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChI Key:	LJDQXQOPXOLCHL-UHFFFAOYSA-N
Boiling Point:	315.5 °C at 760 mmHg
Density:	1.641 g/cm³
MDL:	MFCD00834957
LogP:	2.43680

Publication Number	Title	Priority Date
WO-2021193897-A1	Substituted pyridazine compound	20200327
WO-2021133917-A1	Smarca inhibitors and uses thereof	20191223
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
CN-112979655-A	Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof	20191216
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216

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GHS Hazard Statement:	H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.920531
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.920531
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4