4-Nitrophenyl disulfide - CAS 100-32-3

Catalog:	BB000174
Product Name:	4-Nitrophenyl disulfide
CAS:	100-32-3
Synonyms:	1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene

Technical Data

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Computed Properties

IUPAC Name:	1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
Description:	4-Nitrophenyl disulfide (CAS# 100-32-3) is a useful research chemical compound.
Molecular Weight:	308.33
Molecular Formula:	C12H8N2O4S2
Canonical SMILES:	C1=CC(=CC=C1[N+](=O)[O-])SSC2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key:	KWGZRLZJBLEVFZ-UHFFFAOYSA-N
Boiling Point:	478.8 °C at 760 mmHg
Purity:	Techincal grade
Density:	1.52 g/cm³
Appearance:	Yellow to brown powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00003573
LogP:	5.34880

Publication Number	Title	Priority Date
CN-112341368-A	Method for synthesizing alpha-fluorinated thioacrylamide derivative	20201022
CN-111253367-A	Sulfurizing method of nitrogen-containing heterocycle substituted pyrrole derivative	20200313
CN-111253367-B	Sulfurizing method of nitrogen-containing heterocycle substituted pyrrole derivative	20200313
CN-111116461-A	Palladium-catalyzed o-toluidine amide gamma-C- (sp)3) Synthesis method of H sulfur/selenium ether compound	20191226
CN-110687096-A	Experimental method for annealing separation of PNTP and NPDS	20191023

PMID	Publication Date	Title	Journal
21728313	20110803	Sulfur-substituted tetrahedranes	Journal of the American Chemical Society
20964425	20101118	Photooxidative coupling of thiophenol derivatives to disulfides	The journal of physical chemistry. A
21201443	20080109	4-Amino-phenyl-sulfur penta-fluoride	Acta crystallographica. Section E, Structure reports online
15966576	20050101	Zinc protects HeLa-tat cells against free radical cytotoxicity induced by glucose	Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements (GMS)
15225023	20040707	The role of nonbonded sulfur-oxygen interaction in the dissociative electron transfer to nitro-substituted arenesulfenyl chlorides	Journal of the American Chemical Society

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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
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.99254909
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	307.99254909
Rotatable Bond Count:	3
Topological Polar Surface Area:	142 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7