4-Nitrobenzenesulfenyl chloride - CAS 937-32-6

Catalog:	BB041053
Product Name:	4-Nitrobenzenesulfenyl chloride
CAS:	937-32-6
Synonyms:	(4-nitrophenyl) thiohypochlorite

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Computed Properties

IUPAC Name:	(4-nitrophenyl) thiohypochlorite
Description:	4-Nitrobenzenesulfenyl chloride (CAS# 937-32-6) is a useful research chemical compound.
Molecular Weight:	189.62
Molecular Formula:	C6H4ClNO2S
Canonical SMILES:	C1=CC(=CC=C1[N+](=O)[O-])SCl
InChI:	InChI=1S/C6H4ClNO2S/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H
InChI Key:	NCBOVAWEMBIIFK-UHFFFAOYSA-N
Appearance:	Yellow to brown solid
MDL:	MFCD00010869
LogP:	3.36390

Publication Number	Title	Priority Date
WO-2019229103-A1	Method for preparing a polyfluorinated compound	20180531
EP-3802488-A1	Method for preparing a polyfluorinated compound	20180531
JP-2021526140-A	How to prepare a polyfluorinated compound	20180531
US-2021163408-A1	Method for preparing a polyfluorinated compound	20180531
TW-201925204-A	Fused tricyclic compound	20171122

PMID	Publication Date	Title	Journal
21970561	20111115	Physical structure of standing-up aromatic SAMs revealed by scanning tunneling microscopy	Langmuir : the ACS journal of surfaces and colloids
21617816	20110707	4-Nitrophenyl sulfenyl chloride as a new precursor for the formation of aromatic SAMs on gold surfaces	Chemical communications (Cambridge, England)
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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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.9651272
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.9651272
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8