HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3-Dihydrobenzofuran
COUMARAN · Dihydrobenzofuran · Benzofuran,2,3-dihydro- · 2,3-Dihydro-1-benzofuran · Kumaran · Cumaran · Dihydrocoumarone · BUTTPARK 44\01-23
Identifikatoren & physikalische Daten
| CAS No. | 496-16-2 |
|---|---|
| Summenformel | C8H8O |
| Durchschnittliche Molmasse | 120,15 g/mol |
| Monoisotopische Masse | 120,05751487 g/mol |
| SMILES | c1ccc2c(c1)CCO2 |
| InChIKey | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
| PubChem CID | 10329 |
| ChEMBL | CHEMBL370688 |
| ChEBI | CHEBI:87607 |
| EC No. | 207-817-3 |
| DTXSID | DTXSID2022040 |
| Lokaler Name | 2,3-Dihydrobenzofuran |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 101 |
| LogP (Verteilungskoeffizient) | 2.14 |
| Siedepunkt | 188.00 to 189.00 °C. @ 760.00 mm Hg188-189 °C (lit.) |
| Schmelzpunkt | -21.5 °C-21°C |
| Physical Description | Liquid |
| Kovats Retention Index | 118811871207119112231224121912111221121612371226175.323892359.8 |
| Dichte | 1.065 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.549(lit.) |
| Flammpunkt | 152 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | alcohol: soluble |
| Aggregatzustand | clear liquid |
| Wichte | 1.065 |
| Farbe | Colorless to Yellow to Green |
| Merck | 14,2559 |
| BRN | 111928 |
| InChI | 1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2 |
| InChIKey | HBEDSQVIWPRPAY-UHFFFAOYSA-N |
| SMILES | C1Cc2ccccc2O1 |
| LogP (Verteilungskoeffizient) | 2.140 |
| CAS Datenbank | 496-16-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzofuran, 2,3-dihydro-(496-16-2) |
| EPA chemische Informationen | Coumaran (496-16-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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 exposureRespiratory tract irritation]H412 (99%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, 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 105 reports by companies from 2 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22839 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)Aquatic Chronic 3 (99%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29329995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,3-dihydrobenzofuran is widely used in the synthesis of tricyclic compounds and is also an intermediate raw material for the synthesis of some important drugs. It is used in the synthesis of antitumor agents benzofuran sulfonylureas, HIV protease inhibitor amino acid hydroxyethylenesulfonyl, matrix metalloproteinase inhibitor aryl sulfinyl isoxime hydroxamic acid, etc.