5-Phenoxy-2-benzofuran-1(3H)-one
Grundinformationen
- CAS
57830-14-5- Standard-SMILES
O=C1OCc2cc(Oc3ccccc3)ccc21- InChIKey
BTQCNYDOVASZJD-UHFFFAOYSA-N- Summenformel
- C14H10O3
- Durchschnittliche Molmasse
- 226,23 g/mol
- Monoisotopische Masse
- 226,06299418
Namen und Bezeichner
- Bevorzugter Name
- 5-Phenoxy-2-benzofuran-1(3H)-one
- IUPAC
- 5-phenoxy-3H-2-benzofuran-1-one
- Englischer Name
- 5-Phenoxyisobenzofuran-1(3H)-one
- Summenformel
- C14H10O3
- Molmasse
- 226.23
Namen und Synonyme
5-phenoxy-3H-isobenzofuran-1-one5-Phenoxy-2-benzofuran-1(3H)-oneDTXSID60659457RefChem:537632DTXCID20610206855-897-95-phenoxyisobenzofuran-1(3H)-one57830-14-55-phenoxy-3H-2-benzofuran-1-oneMFCD145828225-phenoxy-1,3-dihydro-2-benzofuran-1-one5-phenoxyphthalide
Weitere Namen anzeigen
Roxadustat Impurity 23RSSYY(Lurasidone Hydrochloride)-35-phenoxyisobenzofuran -1(3H)-one
5-Phenoxy-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone, 5-phenoxy-5-phenoxyisobenzofuranRoxadustat Impurity N2-1(3H)-oneROXA-025SCHEMBL15268421SCHEMBL30123554
Datenbank-Bezeichner
- CAS
57830-14-5- PubChem CID
- 44558580
- DTXSID
DTXSID60659457- EC Number
- 855-897-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 283
Physikochemische Eigenschaften
- Siedepunkt
- 422.5 · 422.5±45.0 °C(Predicted)
- Dichte
- 1.28 · 1.280
- storage temp.
- 2 · 2-8°C
- InChI
- InChI=1S/C14H10O3/c15-14-13-7-6-12(8-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8H,9H2
- InChIKey
- BTQCNYDOVASZJD-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(OC3=CC=CC=C3)C=C2)CO1
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31316
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31316
Chemie und Industrie
Anwendungen
Beschreibung5-Phenoxy-l(3H)-isobenzofuranone, with a phenoxy-substituted benzo five-membered ring lactone structure, is a useful intermediate in preparing the derivatives of isoquinoline. The most common method of preparing 5-Phenoxyisobenzofuran-1(3H)-one was utilized, the copper-catalyzed coupling reaction of 5-bromophthalide and phenol in the presence of a base[1].
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天津莱诺贝德科技有限公司022-87899851 18522914591 · [email protected]
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