HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyridine, 2-methyl-4-nitro-, 1-oxide
2-METHYL-4-NITROPYRIDINE 1-OXIDE · 4-Nitro-2-picoL · 2-methyl-4-nitro-p · 4-Nitro-2-picoline N · 2-methyl 4-amino N-oxide · Methyl-4-nitropyridine N- · 4-Nitro-a-picoline N-oxide · 4-NITRO-2-PICOLINE N-OXIDE
Identifikatoren & physikalische Daten
| CAS No. | 5470-66-6 |
|---|---|
| Summenformel | C6H6N2O3 |
| Durchschnittliche Molmasse | 154,12 g/mol |
| Monoisotopische Masse | 154,03784205 g/mol |
| SMILES | Cc1cc([N+](=O)[O-])cc[n+]1[O-] |
| InChIKey | FTTIAVRPJGCXAC-UHFFFAOYSA-N |
| PubChem CID | 95291 |
| ChEMBL | CHEMBL4569291 |
| EC No. | 628-037-3 |
| DTXSID | DTXSID30203168 |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 155-159 °C(lit.) |
| Siedepunkt | 277.46°C (rough estimate) |
| Dichte | 1.4564 (rough estimate) |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO, Methanol |
| pKa (Säurekonstante) | -1.18±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | yellow to light orange |
| BRN | 135501 |
| InChI | InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3 |
| InChIKey | FTTIAVRPJGCXAC-UHFFFAOYSA-N |
| SMILES | C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1 |
| CAS Datenbank | 5470-66-6(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Nitro-2-picoline-n-oxide(5470-66-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (89.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29333990 |
| RTECS-Nr. | UT5710000 |
| R-Sätze (R) | 20/21/22-36/37/38-40 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A nitroheterocyclic compound and its potential suitability as radiosensitizer for cancer radiotherapy.