4-Nitrocatechol sulfate dipotassium salt - CAS 14528-64-4

Name: 4-Nitrocatechol sulfate dipotassium salt
Brand: BOC Sciences
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Catalog:	BB009916
Product Name:	4-Nitrocatechol sulfate dipotassium salt
CAS:	14528-64-4
Synonyms:	1,2-Benzenediol, 4-nitro-, 2-(hydrogen sulfate), dipotassium salt; Potassium, (2-hydroxy-4-nitrophenoxy)-, hydrogen sulfate, potassium salt; Pyrocatechol, 4-nitro-, 2-(hydrogen sulfate), dipotassium salt; Dipotassium 2-hydroxy-5-nitrophenyl sulfate; Dipotassium nitrocatechol sulfate

Technical Data

Related CAS:	10485-66-2 (free acid)
IUPAC Name:	dipotassium;(5-nitro-2-oxidophenyl) sulfate
Description:	4-Nitrocatechol sulfate dipotassium salt is a chemical compound utilized in biochemical and analytical contexts, particularly for studying redox reactions and enzyme activity. Its properties make it suitable for use in assays and research involving catechol and nitro groups.
Molecular Weight:	311.35
Molecular Formula:	C6H3K2NO7S
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)[O-])[O-].[K+].[K+]
InChI:	InChI=1S/C6H5NO7S.2K/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;/h1-3,8H,(H,11,12,13);;/q;2*+1/p-2
InChI Key:	CKWWBDCAYRJAJB-UHFFFAOYSA-L
MDL:	MFCD00007465
LogP:	2.18160

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	310.8904356
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	310.8904356
Rotatable Bond Count:	1
Topological Polar Surface Area:	144 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0