4-Hydroxybenzenesulfonic acid solution - CAS 98-67-9

Catalog:	BB042207
Product Name:	4-Hydroxybenzenesulfonic acid solution
CAS:	98-67-9
Synonyms:	4-hydroxybenzenesulfonic acid

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Computed Properties

IUPAC Name:	4-hydroxybenzenesulfonic acid
Description:	4-Hydroxybenzenesulfonic acid solution (CAS# 98-67-9) is a useful research chemical.
Molecular Weight:	174.17
Molecular Formula:	C6H6O4S
Canonical SMILES:	C1=CC(=CC=C1O)S(=O)(=O)O
InChI:	InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
InChI Key:	FEPBITJSIHRMRT-UHFFFAOYSA-N
Melting Point:	50 °C
Density:	1.337 g/mL at 25 °C
Appearance:	Yellowish oily liquid
LogP:	1.71970
Vapor Pressure:	0.00000033 [mmHg]

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PMID	Publication Date	Title	Journal
22083529	20130101	Sensitivity of human dental pulp cells to eighteen chemical agents used for endodontic treatments in dentistry	Odontology
23001656	20121201	Two enzymes of a complete degradation pathway for linear alkylbenzenesulfonate (LAS) surfactants: 4-sulfoacetophenone Baeyer-Villiger monooxygenase and 4-sulfophenylacetate esterase in Comamonas testosteroni KF-1	Applied and environmental microbiology
22370200	20120430	Decolorization and degradation of azo dye--Reactive Violet 5R by an acclimatized indigenous bacterial mixed cultures-SB4 isolated from anthropogenic dye contaminated soil	Journal of hazardous materials
21892473	20111021	Intercalation and grafting of benzene derivatives into zinc-aluminum and copper-chromium layered double hydroxide hosts: an XPS monitoring study	Physical chemistry chemical physics : PCCP
21598798	20110401	Decolorization of the textile dyes using purified banana pulp polyphenol oxidase	International journal of phytoremediation

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GHS Hazard Statement:	H290 (78.45%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P390, P403+P233, P404, P405, and P501
Signal Word:	Danger

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.99867984
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.99867984
Rotatable Bond Count:	1
Topological Polar Surface Area:	83 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2