HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-N-methylpiperidin
4-CHLORO-1-METHYLPIPERIDINE · N-METHYL-4-CHLORO PIPERIDINE · 4-CHLORO-N-METHYL PIPERIDINE · oro-1-methyL · N-Methyl-4-chloro · N-methyl-4-cloperidine · N-Methyl-4-Chloropiperdine · 4-chloro-1-methyl-piperidin
Identifikatoren & physikalische Daten
| CAS No. | 5570-77-4 |
|---|---|
| Summenformel | C6H12ClN |
| Durchschnittliche Molmasse | 133,62 g/mol |
| Monoisotopische Masse | 133,06582706 g/mol |
| SMILES | CN1CCC(Cl)CC1 |
| InChIKey | MYGXGCCFTPKWIH-UHFFFAOYSA-N |
| PubChem CID | 79342 |
| EC No. | 226-942-4 |
| DTXSID | DTXSID9063950 |
| Lokaler Name | 4-Chlor-N-methylpiperidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Schmelzpunkt | 160-165°C |
| Siedepunkt | 162°C(lit.) |
| Dichte | 1.02 |
| Dampfdruck | 3.493hPa at 25℃ |
| Brechungsindex | 1.4670-1.4710 |
| Flammpunkt | 48 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethanol (Slightly) , Methanol (Slightly)1.533g/L at 29℃ |
| Aggregatzustand | clear liquid to slightly cloudy liquid |
| pKa (Säurekonstante) | 7.88±0.10(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| InChI | 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3 |
| InChIKey | MYGXGCCFTPKWIH-UHFFFAOYSA-N |
| SMILES | CN1CCC(Cl)CC1 |
| LogP (Verteilungskoeffizient) | 1.318 at 25℃ |
| CAS Datenbank | 5570-77-4(CAS DataBase Reference) |
| EPA chemische Informationen | Piperidine, 4-chloro-1-methyl- (5570-77-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (10%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20723 |
| Hazard Classes and Categories | Flam. Liq. 2 (10%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| Zollcode | 29333990 |
| R-Sätze (R) | 10-34-36/38 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 22-24/25-45-36/37/39-26-36-16 |
| Gefahrenklasse | 3Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Chloro-1-methylpiperidine is a reactant in the synthesis of indole and benzimidazole piperazines as histamine H4 receptor antagonist.