2'-Hydroxybenzophenone
Grundinformationen
- CAS
117-99-7- Standard-SMILES
O=C(c1ccccc1)c1ccccc1O- InChIKey
HJIAMFHSAAEUKR-UHFFFAOYSA-N- Summenformel
- C13H10O2
- Durchschnittliche Molmasse
- 198,22 g/mol
- Monoisotopische Masse
- 198,06807956
Namen und Bezeichner
- Bevorzugter Name
- 2'-Hydroxybenzophenone
- IUPAC
- (2-hydroxyphenyl)-phenylmethanone
- Englischer Name
- 2-Hydroxybenzophenone
- Summenformel
- C13H10O2
- Molmasse
- 198.22
Namen und Synonyme
2-Hydroxybenzophenone117-99-7o-Benzoylphenol2-BenzoylphenolO-HYDROXYBENZOPHENONEMethanone, (2-hydroxyphenyl)phenyl-Benzophenone, 2-hydroxy-2'-HydroxybenzophenonePhenyl 2-Hydroxyphenyl ketone(2-Hydroxyphenyl)phenylmethanoneDTXSID5047879NSC 623
Weitere Namen anzeigen
Hydroxybenzophenone2-Chloro-4’4-Chloro-4’3-Chloro-4’4-Hydroxy-4’-methoxybenzophenone
NSC-623EINECS 204-226-2DTXCID5027855O-HYDROXYPHENYL PHENYL KETONEoBenzoylphenoloHydroxybenzophenoneBenzophenone, 2hydroxyRefChem:439684
Datenbank-Bezeichner
- CAS
117-99-7- PubChem CID
- 8348
- DTXSID
DTXSID5047879- ChEMBL
CHEMBL24743- UNII
- LQV22W4V05
- EC Number
- 204-226-2
- Nikkaji
- J102.213J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 219
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzophenones
SpringerMaterials PropertiesChemical shift
LogP3.52
Vapor Pressure0.00001 [mmHg]
Physical DescriptionPowder; mp = 37-39 deg C; [Alfa Aesar MSDS]
Collision Cross Section143.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5047879]
Physikochemische Eigenschaften
- Schmelzpunkt
- 37 · 37-39 °C (lit.)
- Siedepunkt
- 171 · 171-173 °C/12 mmHg (lit.)
- Dichte
- 1.1184 · 1.1184 (rough estimate)
- Brechungsindex
- 1.5954 · 1.5954 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 8.07 · 8.07±0.30(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 1638174 · 1638174
- InChI
- InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H
- InChIKey
- HJIAMFHSAAEUKR-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1O)(C1=CC=CC=C1)=O
- CAS Datenbank
- 117 · 117-99-7(CAS DataBase Reference)
- NIST chemische Informationen
- Methanone, (2-hydroxyphenyl)phenyl-(117-99-7)
- EPA chemische Informationen
- Methanone, (2-hydroxyphenyl)phenyl- (117-99-7)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanone, (2-hydroxyphenyl)phenyl-
Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationMethanone, (2-hydroxyphenyl)phenyl-: ACTIVE
Anwendungen
Verwenden2-Hydroxybenzophenone was used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.
Darstellung
synthetischePreparation by Friedel–Crafts acylation of benzene in the presence of aluminium chloride, with 2-hydroxybenzoyl chloride (salicylic acid chloride), (52%), (39%), at temperature with o-anisoyl chloride. Demethylation occurred during the Friedel–Crafts acylation, especially in the presence of ferric chloride at 130–140°; with 2-ethoxybenzoyl chloride in a boiling water bath (42%).
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