4-Phenoxyphenol
Grundinformationen
- CAS
831-82-3- Standard-SMILES
Oc1ccc(Oc2ccccc2)cc1- InChIKey
ZSBDGXGICLIJGD-UHFFFAOYSA-N- Summenformel
- C12H10O2
- Durchschnittliche Molmasse
- 186,21 g/mol
- Monoisotopische Masse
- 186,06807956
Überblick
4-phenoxyphenol is a phenoxyphenol.
Namen und Bezeichner
- Bevorzugter Name
- 4-Phenoxyphenol
- IUPAC
- 4-phenoxyphenol
- Lokaler Name
- 4-Phenoxyphenol
- Englischer Name
- 4-Phenoxyphenol
- Summenformel
- C12H10O2
- Molmasse
- 186.21
Namen und Synonyme
4-PHENOXYPHENOL831-82-3p-Phenoxyphenol4-Hydroxydiphenyl etherp-Hydroxydiphenyl etherPhenol, 4-phenoxy-Phenol, p-phenoxy-DTXSID2022127D83R742GJRCHEBI:39264NSC-25027DTXCID802127
Weitere Namen anzeigen
POPPHENOXYPHENOLAKOS BC-07064-phenoxy-phenoPARA-PHENOXYPHENOL
RefChem:858164212-611-1Hydroquinone monophenyl etherBIF-444-(phenyloxy)phenol4-phenoxy-phenolMFCD00002331STR06800
Datenbank-Bezeichner
- CAS
831-82-3- PubChem CID
- 13254
- DTXSID
DTXSID2022127- ChEMBL
CHEMBL224318- ChEBI
CHEBI:39264- UNII
- D83R742GJR
- EC Number
- 212-611-1
- Nikkaji
- J94.839J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 156
Experimentelle und physikochemische Eigenschaften
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP3.92
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section145.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2022127]
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-84 °C (lit.)
- Siedepunkt
- 177 · 177-180°C (11 mmHg)
- Dichte
- 1.1032 · 1.1032 (rough estimate)
- Dampfdruck
- 0.01 · 0.01-0.121Pa at 25℃
- Brechungsindex
- 1.601 · 1.6010 (estimate)
- Flammpunkt
- 177 · 177-180°C/9mm
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 0.1 g/mL, · toluene: 0.1 g/mL, clear
- Aggregatzustand
- Solid
- pka
- 10.07 · 10.07±0.13(Predicted)
- Farbe
- colorless to light brown
- Wasserlöslichkeit
- insoluble
- BRN
- 2047182 · 2047182
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
- InChIKey
- ZSBDGXGICLIJGD-UHFFFAOYSA-N
- SMILES
- Oc1ccc(Oc2ccccc2)cc1
- LogP
- 3.38 · 3.38-3.4 at 25℃
- CAS Datenbank
- 831 · 831-82-3(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · 4-Phenoxyphenol(831-82-3)
- EPA chemische Informationen
- p-Phenoxyphenol (831-82-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (48.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: 4-phenoxyphenol (EC: 212-611-1)
Phenol, 4-phenoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (48.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29095090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 4-phenoxy-: ACTIVE
Anwendungen
Verwenden4-Phenoxyphenol is a porous organic material with dumbbell channels that appear throughout its structure. These channels can also host solvent molecules during crystal growth. 4-Phenoxyphenol is also part of a group of phenolic compounds that have potential apoptotic activity, which can be used in the development of new treatments for cancer therapy.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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