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3,5-Dichlorpyridin
NSC 60546 · 3,5-CHLOROPYRIDINE · 3,5-dichloro-pyridin · 3.5-Dichloropryidine · 3,5-Dichloripyridine · Dichloropyridine,98% · 3,5-DICHLOROPYRIDINE · 3,5-Dichloroypyridine
Identifikatoren & physikalische Daten
| CAS No. | 2457-47-8 |
|---|---|
| Summenformel | C5H3Cl2N |
| Durchschnittliche Molmasse | 147,99 g/mol |
| Monoisotopische Masse | 146,96425446 g/mol |
| SMILES | Clc1cncc(Cl)c1 |
| InChIKey | WPGHPGAUFIJVJF-UHFFFAOYSA-N |
| PubChem CID | 17153 |
| EC No. | 219-537-9 |
| DTXSID | DTXSID60179307 |
| Lokaler Name | 3,5-Dichlorpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 68,8 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Dampfdruck | 0.77 [mmHg] |
| Physical Description | White crystalline powder with an unpleasant odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 65-67 °C (lit.) |
| Siedepunkt | 178 °C |
| Dichte | 1.39 |
| Flammpunkt | >110°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.32±0.10(Predicted) |
| Farbe | White to Off-White |
| BRN | 1973 |
| InChI | InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H |
| InChIKey | WPGHPGAUFIJVJF-UHFFFAOYSA-N |
| SMILES | C1=NC=C(Cl)C=C1Cl |
| CAS Datenbank | 2457-47-8(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 3,5-dichloro-(2457-47-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Causes somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice (LD50 = 1,180 mg/kg)[RTECS] A skin and strong eye irritantHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See 3-Chloropyridine. |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29333990 |
| RTECS-Nr. | US8575000 |
| R-Sätze (R) | 22-37/38-41-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,5-Dichloropyridine (cas# 2457-47-8) is a compound useful in organic synthesis.