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N,N,N-Trimethylaniliniumchlorid
PHENYLTRIMETHYLAMMONIUM CHLORIDE · Ammonium, phenyltrimethyl-, chloride · ammonyx200 · Ammonyx 200 · n,n,n-trimethyl-ben · trimethylaniliniumchloride · Trimethylanilinium chloride · TriMethylphenylaMMoniuM chlorid
Identifikatoren & physikalische Daten
| CAS No. | 138-24-9 |
|---|---|
| Summenformel | C9H14N.Cl |
| Durchschnittliche Molmasse | 171,67 g/mol |
| SMILES | C[N+](C)(C)c1ccccc1.[Cl-] |
| InChIKey | MQAYPFVXSPHGJM-UHFFFAOYSA-M |
| PubChem CID | 67309 |
| ChEMBL | CHEMBL1209421 |
| EC No. | 205-319-0 |
| DTXSID | DTXSID6051699 |
| Lokaler Name | N,N,N-Trimethylaniliniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 95,8 |
| Stoffklassen | Nitrogen Compounds -> Quaternary AminesIndustrial compound |
| Physical Description | White crystalline powderHygroscopic[Alfa Aesar MSDS] |
| Schmelzpunkt | 246-248 °C (dec.) (lit.) |
| Siedepunkt | 283.2°C (rough estimate) |
| Dichte | 1.0683 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6224 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | H2O: 0.1 g/mL, clearsoluble |
| Aggregatzustand | Solid |
| Farbe | White crystalline |
| pH | 4.5 (333g/l, H2O, 20℃) |
| Explosionsgrenze | 1-6%(V) |
| BRN | 3572527 |
| InChI | 1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H31H/q+1/p-1 |
| InChIKey | MQAYPFVXSPHGJM-UHFFFAOYSA-M |
| SMILES | [Cl-].C[N+](C)(C)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 0.542 at 25℃ |
| CAS Datenbank | 138-24-9(CAS DataBase Reference) |
| NIST chemische Informationen | Trimethylphenylammonium chloride(138-24-9) |
| EPA chemische Informationen | Benzenaminium, N,N,N-trimethyl-, chloride (138-24-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Benzenaminium, N,N,N-trimethyl-, chlorideStatus: Active Update: 02-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18578Phenyltrimethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritationToxic by ingestion and skin absorption[Alfa Aesar MSDS] See Phenyltrimethylammonium bromide and Phenyltrimethylammonium iodide. |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute toxicity - category 3Acute Tox. 3 * |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29239000 |
| RTECS-Nr. | BT2190000 |
| R-Sätze (R) | 24/25 |
| Toxizität | LD50 orally in Rabbit: 121 mg/kg LD50 dermal Rabbit 309 mg/kg |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 53-25-39-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Phenyltrimethylammonium chloride is an effective phase transfer catalyst, methylating agent, also useful for alkaline depolymerizations, corrosion inhibitor for low carbon steel.