o-[(4-Hydroxyphenyl)sulfonyl]phenol

2,4'-Dihydroxydiphenyl sulfone

HCID 79381CAS 5397-34-2

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Grundinformationen

Standard-SMILES: O=S(=O)(c1ccc(O)cc1)c1ccccc1O
InChIKey: LROZSPADHSXFJA-UHFFFAOYSA-N
Summenformel: C12H10O4S
Durchschnittliche Molmasse: 250,27 g/mol
Monoisotopische Masse: 250,0299798

Namen und Bezeichner

Bevorzugter Name: 2,4'-Dihydroxydiphenyl sulfone
IUPAC: 2-(4-hydroxyphenyl)sulfonylphenol
Lokaler Name: o-[(4-Hydroxyphenyl)sulfonyl]phenol
Englischer Name: 2,4'-DIHYDROXYDIPHENYL SULFONE
Summenformel: C12H10O4S
Molmasse: 250.27

Namen und Synonyme

5397-34-22,4'-Dihydroxydiphenyl sulfone2-((4-Hydroxyphenyl)sulfonyl)phenol2,4'-SulfonyldiphenolPhenol, 2,4'-sulfonyldi-O,P-Dihydroxydiphenyl sulfone4,2'-Dihydroxydiphenyl sulfone24 BISPHENOL SPhenol, 2-[(4-hydroxyphenyl)sulfonyl]-Phenol, 2-((4-hydroxyphenyl)sulfonyl)-NSC 2432EINECS 226-421-1

Weitere Namen anzeigen

2,4-BPSBPS-24C2,4'2,4'-DIHYDROXYDIPHEN2,4’-sulfonyldi-pheno2,4’-sulfonyldiphenol2,4'-SulfonylbisphenolDihydroxydiphenylsulfone2,4'-Sulfonylbis(phenol)

AI3-086682-(4-Hydroxyphenylsulfonyl)phenol65974MNO5XNSC-2432o-((4-Hydroxyphenyl)sulphonyl)phenolDTXSID90521832,4'-BISPHENOL SULFONE2-[(4-hydroxyphenyl)sulfonyl]phenol

Datenbank-Bezeichner

CAS: 5397-34-2
PubChem CID: 79381
DTXSID: DTXSID9052183
UNII: 65974MNO5X
EC Number: 226-421-1
Nikkaji: J217.951B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 83 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 338

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBisphenol

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionDry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 184 °C · 184°C
Siedepunkt: 487.2 · 487.2±30.0 °C(Predicted)
Dichte: 1.432 · 1.432±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
pka: 7.09 · 7.09±0.15(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
InChIKey: LROZSPADHSXFJA-UHFFFAOYSA-N
CAS Datenbank: 5397 · 5397-34-2(CAS DataBase Reference)
EPA chemische Informationen: 2 · Phenol, 2-[(4-hydroxyphenyl)sulfonyl]- (5397-34-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 26.4% (38 of 144) of reports.

Danger

H302 (72.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 144 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

Phenol, 2-[(4-hydroxyphenyl)sulfonyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-[(4-hydroxyphenyl)sulfonyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (72.9%)