Sodium 2,4-dinitrobenzenesulfonate - CAS 885-62-1

Catalog:	BB039008
Product Name:	Sodium 2,4-dinitrobenzenesulfonate
CAS:	885-62-1
Synonyms:	sodium;2,4-dinitrobenzenesulfonate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	sodium;2,4-dinitrobenzenesulfonate
Description:	Sodium 2,4-dinitrobenzenesulfonate (CAS# 885-62-1) is a useful research chemical compound.
Molecular Weight:	270.15
Molecular Formula:	C6H3N2NaO7S
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1
InChI Key:	GSBYVRKLPCSLNV-UHFFFAOYSA-M
Melting Point:	>350 °C (lit.)
Purity:	95 %
Density:	9.3 g/cm³ (vs air)
Appearance:	Brown-orange to brown cryst. powder and chunks
LogP:	2.53430

Publication Number	Title	Priority Date
CN-112551674-A	Method for removing aromatic sulfonic acid anions in aqueous solution and aromatic sulfonic acid anion CMOFs material	20201214
WO-2021030551-A1	Compounds and compositions for differential modulation of nicotinamide adenine dinucleotide	20190814
WO-2021022258-A1	Tetracycline compounds for the treatment of hematological cancers	20190801
WO-2020257429-A1	Ectonucleotidase inhibitors and methods of use thereof	20190620
US-10618927-B1	Compositions and methods for modulation of nicotinamide adenine dinucleotide	20190322

PMID	Publication Date	Title	Journal
22741787	20121101	Identification of small molecule sulfonic acids as ecto-5'-Nucleotidase inhibitors	Medicinal chemistry (Shariqah (United Arab Emirates))
21923732	20120201	An analytical technique for measuring protein carbonyl in the stratum corneum using surface plasmon resonance	International journal of cosmetic science
21034735	20110115	Differential recruitment of high affinity A1 and A2A adenosine receptors in the control of colonic neuromuscular function in experimental colitis	European journal of pharmacology
21147356	20110115	Determination of non-protein cysteine in human serum by a designed BODIPY-based fluorescent probe	Talanta
20631061	20101001	Tracking human contact allergens: from mass spectrometric identification of peptide-bound reactive small chemicals to chemical-specific naive human T-cell priming	Toxicological sciences : an official journal of the Society of Toxicology

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1778-09-2]
4'-(Methylthio)acetophenone
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

GHS Hazard Statement:	H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	375
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.95586589
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.95586589
Rotatable Bond Count:	0
Topological Polar Surface Area:	157 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0