HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Nitrofurfurylidendi(acetat)
5-NITROFURFURAL DIACETATE · 5-NITRO-2-FURFURAL DIACETATE · 5-NITRO-2-FURFURALDEHYDE DIACETATE · 5-Nitro-2-furaL · 5-NITROFURFURYLIDENE DIACETATE · (5-nitrofuran-2-yl)Methylene diacetate · IITR01324 · Nifuratel-1
Identifikatoren & physikalische Daten
| CAS No. | 92-55-7 |
|---|---|
| Summenformel | C9H9NO7 |
| Durchschnittliche Molmasse | 243,17 g/mol |
| Monoisotopische Masse | 243,03790163 g/mol |
| SMILES | CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1 |
| InChIKey | HSXKWKJCZNRMJO-UHFFFAOYSA-N |
| PubChem CID | 7097 |
| ChEMBL | CHEMBL402463 |
| EC No. | 202-166-1 |
| DTXSID | DTXSID5020946 |
| Lokaler Name | 5-Nitrofurfurylidendi(acetat) |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 112 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 308 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 1.06 |
| Schmelzpunkt | 89-93 °C |
| Siedepunkt | 386.04°C (rough estimate) |
| Dichte | 1.5301 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Very Slightly) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Yellow |
| BRN | 255089 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3 |
| InChIKey | HSXKWKJCZNRMJO-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C)(OC(=O)C)C1=CC=C([N+]([O-])=O)O1 |
| LogP (Verteilungskoeffizient) | 1.06 at 20℃ |
| CAS Datenbank | 92-55-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-(Diacetoxymethyl)-5-nitrofuran(92-55-7) |
| EPA chemische Informationen | Methanediol, (5-nitro-2-furanyl)-, diacetate (ester) (92-55-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (67.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Methanediol, (5-nitro-2-furanyl)-, diacetate (ester)REACH registered substance: 5-nitrofurfurylidene di(acetate) (EC: 202-166-1)Methanediol, (5-nitro-2-furanyl)-, diacetate (ester): Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (91.4%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29321900 |
| RTECS-Nr. | LU1940000 |
| R-Sätze (R) | 68-40-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-22-45-36/37/39-7 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralMuta. 2 |
Anwendungen & Verwendung
Verwenden
5-Nitrofuraldehyde Diacetate (cas# 92-55-7) is a compound useful in organic synthesis.