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4-Chloro-3-nitropyridine
3-nitro-4-chloropyridine · 4-Chlor-3-nitro-pyridin · 4-CHLORO-3-NITROPYRIDINE · Pyridine, 4-chloro-3-nitro- · 4-CHLORO-3-NITROPYRIDINE 98% · 4-chloro-3-nitropyridine, 97%, · 4-Chloro-3-nitropyridine, tech. · 4-Chloro-3-nitropyridine ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 13091-23-1 |
|---|---|
| Summenformel | C5H3ClN2O2 |
| Durchschnittliche Molmasse | 158,54 g/mol |
| Monoisotopische Masse | 157,988305 g/mol |
| SMILES | O=[N+]([O-])c1cnccc1Cl |
| InChIKey | JOTRPRKONYTVBV-UHFFFAOYSA-N |
| PubChem CID | 2735781 |
| EC No. | 603-447-5 |
| DTXSID | DTXSID90370941 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 35-50 °C |
| Siedepunkt | 95 °C(Press: 5 Torr) |
| Dichte | 1.489±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble in water. |
| pKa (Säurekonstante) | 0.56±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Pale yellow |
| InChI | InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H |
| InChIKey | JOTRPRKONYTVBV-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(Cl)=C1[N+]([O-])=O |
| CAS Datenbank | 13091-23-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.4%)Eye Dam. 1 (89.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 20/21/22-36/37/38-41-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-36/39-37/38-36 |
| Gefahrenklasse | IRRITANT, KEEP COLDAcute Tox. 3 OralEye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Chloro-3-nitropyridine (cas# 13091-23-1) is a compound useful in organic synthesis.