p,p'-Oxybisphenol

4,4'-Dihydroxydiphenyl ether

HCID 16069CAS 1965-09-9

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Grundinformationen

Standard-SMILES: Oc1ccc(Oc2ccc(O)cc2)cc1
InChIKey: NZGQHKSLKRFZFL-UHFFFAOYSA-N
Summenformel: C12H10O3
Durchschnittliche Molmasse: 202,21 g/mol
Monoisotopische Masse: 202,06299418

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dihydroxydiphenyl ether
IUPAC: 4-(4-hydroxyphenoxy)phenol
Lokaler Name: p,p'-Oxybisphenol
Englischer Name: 4,4'-Oxydiphenol
Summenformel: C12H10O3
Molmasse: 202.21

Namen und Synonyme

4,4'-Oxydiphenol4,4'-Dihydroxydiphenyl ether1965-09-9Phenol, 4,4'-oxybis-4-(4-hydroxyphenoxy)phenolEINECS 217-809-14,4'-oxybiphenolBRN 18753204,4'-Oxybisphenol7L83KGH26S4,4'-oxybis(phenol)UNII-7L83KGH26S

Weitere Namen anzeigen

p,p'-Oxydiphenolp,p’-oxydiphenol4',4-OXIDIPHENOL4,4'-Oxydiphenyl4',4-OXYDIPHENOL4,4’-oxydi-phenop,p'-oxybisphenol

PHENOL, P,P'-OXYDI-PHENOL, P,P'-OXYBIS-DTXSID80221694,4'-Oxybis[phenol]3-06-00-04408 (Beilstein Handbook Reference)RefChem:96259DTXCID802169217-809-1

Datenbank-Bezeichner

CAS: 1965-09-9
PubChem CID: 16069
DTXSID: DTXSID8022169
ChEMBL: CHEMBL147060
UNII: 7L83KGH26S
EC Number: 217-809-1
Nikkaji: J47.623D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 159

Experimentelle und physikochemische Eigenschaften

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 163 · 163-168 °C
Siedepunkt: 300.32 °C · 300.32°C (rough estimate)
Dichte: 1.1868 · 1.1868 (rough estimate)
Brechungsindex: 1.543 · 1.5430 (estimate)
storage temp.: Room Temperature
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Amorphous Powder
pka: 9.9 · 9.90±0.15(Predicted)
Farbe: Off-white
InChI: InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey: NZGQHKSLKRFZFL-UHFFFAOYSA-N
SMILES: O(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
CAS Datenbank: 1965 · 1965-09-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · Phenol, 4,4'-oxybis-(1965-09-9)
EPA chemische Informationen: 4 · Phenol, 4,4'-oxybis- (1965-09-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.