Pyridazine N-oxide - CAS 1457-42-7

Catalog:	BB009998
Product Name:	Pyridazine N-oxide
CAS:	1457-42-7
Synonyms:	1-oxidopyridazin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	1-oxidopyridazin-1-ium
Description:	Pyridazine N-oxide (CAS# 1457-42-7) is a useful research chemical compound.
Molecular Weight:	96.09
Molecular Formula:	C4H4N2O
Canonical SMILES:	C1=CC=[N+](N=C1)[O-]
InChI:	InChI=1S/C4H4N2O/c7-6-4-2-1-3-5-6/h1-4H
InChI Key:	GAJBWMUZVXJIBO-UHFFFAOYSA-N
Boiling Point:	210.7 °C at 760 mmHg
Melting Point:	298-305 °C
Purity:	95 %
Density:	1.19 g/cm³
LogP:	0.51010

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.032362755
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	96.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6