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1-Ethynyl-4-nitrobenzene
1-ETHYNYL-4-NITROBENZENE · 4-Nitroethynylbenzene · NSC 71089 · -4-nitrobenzene · NITROPHENYLACETYLENE · (4-Nitrophenyl)ethyne · p-Nitroethynylbenzene · p-Ethynylnitrobenzene
Identifikatoren & physikalische Daten
| CAS No. | 937-31-5 |
|---|---|
| Summenformel | C8H5NO2 |
| Durchschnittliche Molmasse | 147,13 g/mol |
| Monoisotopische Masse | 147,0320284 g/mol |
| SMILES | C#Cc1ccc([N+](=O)[O-])cc1 |
| InChIKey | GAZZTEJDUGESGQ-UHFFFAOYSA-N |
| PubChem CID | 136752 |
| EC No. | 804-971-9 |
| DTXSID | DTXSID90239544 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 190 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 148-150 °C(lit.) |
| Siedepunkt | 246.6±23.0 °C(Predicted) |
| Dichte | 1.22±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Ethanol, Ether |
| Aggregatzustand | Solid |
| Farbe | Light Yellow |
| InChI | InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H |
| InChIKey | GAZZTEJDUGESGQ-UHFFFAOYSA-N |
| SMILES | C1(C#C)=CC=C([N+]([O-])=O)C=C1 |
| CAS Datenbank | 937-31-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Nitrophenylacetylene (cas# 937-31-5) is a compound useful in organic synthesis.