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2-Chloro-5-(chloromethyl)pyridine
2-CHLORO-5-CHLOROMETHYLPYRIDINE · 2-chloro-chloromethylpyridine · Pyridine, 2-chloro-5-(chloromethyl)- · 6-Chlo · 60% in DMF · AKOS MSC-0759 · AURORA KA-6694 · 2-Chloro-5-(ch
Identifikatoren & physikalische Daten
| CAS No. | 70258-18-3 |
|---|---|
| Summenformel | C6H5Cl2N |
| Durchschnittliche Molmasse | 162,01 g/mol |
| Monoisotopische Masse | 160,97990452 g/mol |
| SMILES | ClCc1ccc(Cl)nc1 |
| InChIKey | SKCNYHLTRZIINA-UHFFFAOYSA-N |
| PubChem CID | 155479 |
| EC No. | 454-800-3 |
| DTXSID | DTXSID50220498 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Schmelzpunkt | 37-42 °C(lit.) |
| Siedepunkt | 267.08°C (rough estimate) |
| Dichte | 1.4411 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Insoluble in water. |
| pKa (Säurekonstante) | -0.75±0.10(Predicted) |
| Aggregatzustand | Moist Crystals |
| Farbe | Beige |
| BRN | 1635690 |
| InChI | InChI=1S/C6H5Cl2N/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2 |
| InChIKey | SKCNYHLTRZIINA-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(CCl)C=C1 |
| CAS Datenbank | 70258-18-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11962 |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute Tox. 4 (94%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29333999 |
| R-Sätze (R) | 22-34-36-10 |
| Gefahrensymbole | C,Xi,F |
| hazard_note | Corrosive/Harmful |
| Sicherheitshinweise (S) | 26-36/37/39-45-25-36-16 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-(chloromethyl)pyridine is used for the synthesis of various pharmaceutical compounds. It can also be used for the synthesis of new neonicotinoid compounds.