Grundinformationen
- Standard-SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
RXNYJUSEXLAVNQ-UHFFFAOYSA-N- Summenformel
- C13H10O3
- Durchschnittliche Molmasse
- 214,22 g/mol
- Monoisotopische Masse
- 214,06299418
Überblick
4,4'-Dihydroxybenzophenone is a member of benzophenones.
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Dihydroxybenzophenone
- IUPAC
- bis(4-hydroxyphenyl)methanone
- Lokaler Name
- 4,4'-Dihydroxybenzophenon
- Englischer Name
- 4,4'-Dihydroxybenzophenone
- Summenformel
- C13H10O3
- Molmasse
- 214.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
611-99-4- PubChem CID
- 69150
- DTXSID
DTXSID1022425- ChEMBL
CHEMBL194859- ChEBI
CHEBI:34365- UNII
- HZR7D31SBY
- EC Number
- 210-288-1
- Nikkaji
- J39.681H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 212
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 213 · 213-215 °C(lit.)
- Siedepunkt
- 314.35 °C · 314.35°C (rough estimate)
- Dichte
- 1.133 · 1.1330
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.509 · 1.5090 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Fine Crystalline Powder
- pka
- 7.67 · 7.67±0.15(Predicted)
- Farbe
- Off-white to beige
- Wasserlöslichkeit
- insoluble
- BRN
- 1874572 · 1874572
- InChI
- 1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
- InChIKey
- RXNYJUSEXLAVNQ-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1)C(=O)c2ccc(O)cc2
- LogP
- 2.5 · 2.5
- CAS Datenbank
- 611 · 611-99-4(CAS DataBase Reference)
- NIST chemische Informationen
- Bis(4-hydroxyphenyl)methanone(611-99-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (84.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 64 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23810
Methanone, bis(4-hydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145000
- RTECS-Nr.
- DJ0880000
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37-37/39-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden4,4'-Dihydroxybenzophenone is as a UV light stabilizer. It and its derivatives are found in cosmetics, plastics, films, adhesives and coatings, optical fiber, and printed circuit boards. It is the precursor to certain polycarbonate polymers.
Darstellung
synthetischePreparation by demethylation of 4,4′ -dimethoxy-benzophenone with aluminium bromide in refluxing benzene for 4 h (88%).
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