Acetophenone, 2'-hydroxy-2-phenyl-
Grundinformationen
- CAS
2491-31-8- Standard-SMILES
O=C(Cc1ccccc1)c1ccccc1O- InChIKey
VGHVJQXWDXRTRJ-UHFFFAOYSA-N- Summenformel
- C14H12O2
- Durchschnittliche Molmasse
- 212,24 g/mol
- Monoisotopische Masse
- 212,08372962
Namen und Bezeichner
- Bevorzugter Name
- Acetophenone, 2'-hydroxy-2-phenyl-
- IUPAC
- 1-(2-hydroxyphenyl)-2-phenylethanone
- Englischer Name
- 1-(2-hydroxyphenyl)-2-phenylethanone
- Summenformel
- C14H12O2
- Molmasse
- 212.24
Namen und Synonyme
2491-31-8BENZYL 2-HYDROXYPHENYL KETONEAcetophenone, 2'-hydroxy-2-phenyl-DTXSID70179616RefChem:552422DTXCID30102107811-798-21-(2-hydroxyphenyl)-2-phenylethanone1-(2-Hydroxyphenyl)-2-phenylethan-1-one2-hydroxydeoxybenzoinMFCD00218589Ethanone, 1-(2-hydroxyphenyl)-2-phenyl-
Weitere Namen anzeigen
100165benzyl2-hydroxybenzeneone2-Hydroxyphenyl benzyl ketoneBenzyl o-hydroxyphenyl ketone2'-Hydroxy-2-phenylacetophenoe
SCHEMBL8376SY0509882'-Hydroxy-2-phenylacetophenone, AldrichCPRCS-0315009Acetophenone, 2'-hydrox2'-hydroxy-2-phenylacetophenoneSCHEMBL27617818SCHEMBL29586388
Datenbank-Bezeichner
- CAS
2491-31-8- PubChem CID
- 137612
- DTXSID
DTXSID70179616- EC Number
- 811-798-2
- Nikkaji
- J874.966C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 231
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 to · 55.0 to 59.0 °C
- Siedepunkt
- 165 °C/23mmHg · 165°C/23mmHg(lit.)
- Dichte
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 8.09 · 8.09±0.30(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- Light yellow to Amber to Dark green
- InChI
- 1S/C14H12O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2
- InChIKey
- VGHVJQXWDXRTRJ-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1C(=O)Cc2ccccc2
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2914500090
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Darstellung
synthetischeObtained by Fries rearrangement of phenyl phenylacetate,Also obtained by photo-Fries rearrangement of phenyl phenylacetate, in the presence of a- or b-cyclodextrin in organic solvents ; included in a Nafion membrane, at r.t. for 7 h (quantitative yield). with aluminium chloride,with titanium tetrachloride in chlorobenzene at 50° for 4 h ( with polyphosphoric acid at 100° (1%); with or without 20% Bleicherde at 200° for 9 h (poor yields).
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