HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylfuran
Furan, 3-methyl- · 3-METHYLFURAN · 3-methyl-fura · 3-METHYLFURANE · 3-Methylfuran,98% · 3-Methylfuran, 98% 1GR · 3-Methylfuran in methanol · 3-Methylfuran(stabilizedwithHQ)>3-Methylfuran (stabilized with HQ)
Identifikatoren & physikalische Daten
| CAS No. | 930-27-8 |
|---|---|
| Summenformel | C5H6O |
| Durchschnittliche Molmasse | 82,1 g/mol |
| Monoisotopische Masse | 82,04186481 g/mol |
| SMILES | Cc1ccoc1 |
| InChIKey | KJRRQXYWFQKJIP-UHFFFAOYSA-N |
| PubChem CID | 13587 |
| ChEBI | CHEBI:172946 |
| EC No. | 618-895-7 |
| DTXSID | DTXSID10239228 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 13,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 43,2 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | -94.28°C (estimate) |
| Siedepunkt | 65-66 °C |
| Dichte | 0.92 |
| Brechungsindex | 1.431-1.433 |
| Flammpunkt | -22 °C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 0.923 |
| Farbe | Clear colorless to light yellow |
| Henry-Konstante | 3.2×10-3 mol/(m3Pa) at 25℃, Wu et al. (2022) |
| Stabilität | Light sensitive, Very volatile |
| InChI | InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3 |
| InChIKey | KJRRQXYWFQKJIP-UHFFFAOYSA-N |
| SMILES | O1C=CC(C)=C1 |
| LogP (Verteilungskoeffizient) | 2.157 (est) |
| CAS Datenbank | 930-27-8(CAS DataBase Reference) |
| NIST chemische Informationen | Furan, 3-methyl-(930-27-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.8% (3 of 44) of reports.DangerH302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P301+P317, P304+P340, P316, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (86.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29321900 |
| RTECS-Nr. | LU2630000 |
| R-Sätze (R) | 23-11-22-2017/11/13 |
| Gefahrensymbole | T-F,T,F,Xn |
| Sicherheitshinweise (S) | 45-38-28A-16-18 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationAcute Tox. 4 Oral |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.