4-Ethylbenzenesulfonic acid - CAS 98-69-1

Catalog:	BB042209
Product Name:	4-Ethylbenzenesulfonic acid
CAS:	98-69-1
Synonyms:	4-ethylbenzenesulfonic acid

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Computed Properties

IUPAC Name:	4-ethylbenzenesulfonic acid
Description:	4-Ethylbenzenesulfonic acid (CAS# 98-69-1) is a useful research chemical.
Molecular Weight:	186.23
Molecular Formula:	C8H10O3S
Canonical SMILES:	CCC1=CC=C(C=C1)S(=O)(=O)O
InChI:	InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
InChI Key:	BRIXOPDYGQCZFO-UHFFFAOYSA-N
Density:	1.229 g/cm³
LogP:	2.57650

Publication Number	Title	Priority Date
CN-112679685-A	Anthracene unit-based conjugated organic framework material COF-TA and preparation method thereof	20210106
CN-112679685-B	Anthracene unit-based conjugated organic framework material COF-TA and preparation method thereof	20210106
CN-112048719-A	Chromium metal etching solution and method for etching chromium film and chromium-nickel film	20200827
US-2021313503-A1	Functionally graded organic thermoelectric materials and uses thereof	20200401
WO-2021201054-A1	Non-aqueous electrolyte for battery, precursor for lithium secondary battery, method for manufacturing lithium secondary battery, lithium secondary battery, phosphazene compound, and additive for battery	20200331

PMID	Publication Date	Title	Journal
23034534	20121121	All-polymer solar cells with bulk heterojunction nanolayers of chemically doped electron-donating and electron-accepting polymers	Physical chemistry chemical physics : PCCP
22291561	20090101	Microfabricated formaldehyde gas sensors	Sensors (Basel, Switzerland)
16970462	20060921	Sonochemical degradation of alkylbenzene sulfonate surfactants in aqueous mixtures	The journal of physical chemistry. B
15203047	20040805	Novel methylcellulose-immobilized cation-exchange precolumn for on-line enrichment of cationic drugs in plasma	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

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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:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.03506535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.03506535
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5