4-Amino-3,5-dichloropyridazine - CAS 53180-76-0

Catalog:	BB028075
Product Name:	4-Amino-3,5-dichloropyridazine
CAS:	53180-76-0
Synonyms:	3,5-dichloro-4-pyridazinamine; 3,5-dichloropyridazin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	3,5-dichloropyridazin-4-amine
Description:	4-Amino-3,5-dichloropyridazine (CAS# 53180-76-0) is a useful research chemical.
Molecular Weight:	163.99
Molecular Formula:	C4H3Cl2N3
Canonical SMILES:	C1=C(C(=C(N=N1)Cl)N)Cl
InChI:	InChI=1S/C4H3Cl2N3/c5-2-1-8-9-4(6)3(2)7/h1H,(H2,7,8)
InChI Key:	RPFJGTZUJUOCCL-UHFFFAOYSA-N
LogP:	1.94680

Publication Number	Title	Priority Date
CN-110903248-A	Synthesis method of 5-chloro-4-aminopyridazine	20191225
WO-2019243533-A1	Oga inhibitor compounds	20180621
WO-2019243535-A1	Oga inhibitor compounds	20180621
AU-2019291099-A1	Oga inhibitor compounds	20180621
AU-2019291101-A1	OGA inhibitor compounds	20180621

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	162.9704025
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.9704025
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8