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5-Hydroxy-2-nitrobenzaldehyd
3-Formyl-4-nitrophenol · LABOTEST-BB LT00233113 · 5-Hydroxy-2-nitrobenzaL · 2-NITRO-5-HYDROXYBENZALDE · 5-Hydroxy-2-nitrobenzaldehy · 5-hydroxy-2-nitro-benzaldehyd · 3-HYDROXY-6-NITROBENZALDEHYDE · 5-HYDROXY-2-NITROBENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 42454-06-8 |
|---|---|
| Summenformel | C7H5NO4 |
| Durchschnittliche Molmasse | 167,12 g/mol |
| Monoisotopische Masse | 167,02185764 g/mol |
| SMILES | O=Cc1cc(O)ccc1[N+](=O)[O-] |
| InChIKey | XLYPHUGUKGMURE-UHFFFAOYSA-N |
| PubChem CID | 39211 |
| EC No. | 255-832-9 |
| DTXSID | DTXSID8022290 |
| Lokaler Name | 5-Hydroxy-2-nitrobenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Schmelzpunkt | 165-169 °C (lit.) |
| Siedepunkt | 373.0±32.0 °C(Predicted) |
| Dichte | 1.500±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | 6.34±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow to Yellow |
| BRN | 1910196 |
| Stabilität | Air Sensitive |
| InChI | 1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H |
| InChIKey | XLYPHUGUKGMURE-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc(O)ccc1[N+]([O-])=O |
| CAS Datenbank | 42454-06-8(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Hydroxy-2-nitro-benzaldehyde(42454-06-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| RTECS-Nr. | CU6700000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5-Hydroxy-2-nitrobenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.