3-Amino-6-chloropyridazine - CAS 5469-69-2

Catalog:	BB028781
Product Name:	3-Amino-6-chloropyridazine
CAS:	5469-69-2
Synonyms:	6-chloropyridazin-3-amine

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Computed Properties

IUPAC Name:	6-chloropyridazin-3-amine
Description:	3-Amino-6-chloropyridazine (CAS# 5469-69-2) is a compound useful in organic synthesis.
Molecular Weight:	129.55
Molecular Formula:	C4H4ClN3
Canonical SMILES:	C1=CC(=NN=C1N)Cl
InChI:	InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
InChI Key:	DTXVKPOKPFWSFF-UHFFFAOYSA-N
Boiling Point:	363.2 °C at 760 mmHg
Purity:	98 %
Density:	1.437 g/cm³
LogP:	1.29340

Publication Number	Title	Priority Date
US-2016009704-A1	Gls1 inhibitors for treating disease	20140703
WO-2015108490-A2	Heteroaryl alkyne derivatives and uses thereof	20140117
WO-2015104254-A1	Amido-substituted imidazopyridazines useful in the treatment of hyper-proliferative and/or angiogenesis disorders	20140109
WO-2015101957-A2	Novel glutaminase inhibitors	20140106
WO-2015101958-A2	Novel inhibitors of glutaminase	20140106

PMID	Publication Date	Title	Journal
22332959	20120403	Electrochemical treatment of the antibiotic sulfachloropyridazine: kinetics, reaction pathways, and toxicity evolution	Environmental science & technology

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[55271-49-3]
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GHS Hazard Statement:	H302 (79.63%): 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:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.0093748
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3