4-Chlorobenzenesulfonic acid - CAS 98-66-8

Catalog:	BB042206
Product Name:	4-Chlorobenzenesulfonic acid
CAS:	98-66-8
Synonyms:	4-chlorobenzenesulfonic acid

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Computed Properties

IUPAC Name:	4-chlorobenzenesulfonic acid
Description:	4-Chlorobenzenesulfonic acid (CAS# 98-66-8) is a useful research chemical.
Molecular Weight:	192.62
Molecular Formula:	C6H5ClO3S
Canonical SMILES:	C1=CC(=CC=C1S(=O)(=O)O)Cl
InChI:	InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key:	RJWBTWIBUIGANW-UHFFFAOYSA-N
Boiling Point:	149 °C
Density:	1.551 g/cm³
Appearance:	Greyish-beige flaked solid
MDL:	MFCD00065342
LogP:	2.66750

Publication Number	Title	Priority Date
US-10934318-B1	Synthesis of the organoarsenical antibiotic arsinothricin and derivatives thereof	20200605
US-10905698-B1	Methods of treating SARS-COV-2 infections	20200514
US-10980756-B1	Methods of treatment	20200316
US-2021186983-A1	Orally administered combinations of amoxicillin and avibactam derivatives for treating mycobacterial infections	20191220
WO-2021124191-A1	Orally administered combinations of amoxicillin and avibactam derivatives for treating mycobacterial infections	20191220

PMID	Publication Date	Title	Journal
22589725	20120101	Synchronized retrovirus fusion in cells expressing alternative receptor isoforms releases the viral core into distinct sub-cellular compartments	PLoS pathogens
22624001	20120101	An analogue of the antibiotic teicoplanin prevents flavivirus entry in vitro	PloS one
22145853	20111206	Inhibition of HIV-1 endocytosis allows lipid mixing at the plasma membrane, but not complete fusion	Retrovirology
22059040	20110901	(E)-2-[4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate	Acta crystallographica. Section E, Structure reports online
21754400	20110501	2,4-Dichloro-anilinium 4-chloro-benzene-sulfonate monohydrate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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GHS Hazard Statement:	H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9647929
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.9647929
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6