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Benzenemethanamine, 2,5-dichloro-
(2,5-Dichlorophenyl)methanamine · RARECHEM AL BW 0384 · 2,5-Dichlorobenzylam · 2,5-DICHLOROBENZYLAMINE · 2,5-dichlorobenzyl aminie · 2,5-Dichlorobenzylamine 97% · 2,5-DichlorobenzeneMethanaMine · [(2,5-Dichlorophenyl)Methyl]aMine
Identifikatoren & physikalische Daten
| CAS No. | 10541-69-2 |
|---|---|
| Summenformel | C7H7Cl2N |
| Durchschnittliche Molmasse | 176,04 g/mol |
| Monoisotopische Masse | 174,99555458 g/mol |
| SMILES | NCc1cc(Cl)ccc1Cl |
| InChIKey | AKGJLIXNRPNPCH-UHFFFAOYSA-N |
| PubChem CID | 457600 |
| ChEMBL | CHEMBL12735 |
| EC No. | 626-609-7 |
| DTXSID | DTXSID90147115 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 108 |
| Schmelzpunkt | 191-192 °C |
| Siedepunkt | 74-76 °C/0.1 mmHg (lit.) |
| Dichte | 1.3172 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.579(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | Not miscible or difficult to mix. |
| pKa (Säurekonstante) | 8.23±0.10(Predicted) |
| BRN | 2639302 |
| InChI | 1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2 |
| InChIKey | AKGJLIXNRPNPCH-UHFFFAOYSA-N |
| SMILES | NCc1cc(Cl)ccc1Cl |
| CAS Datenbank | 10541-69-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2,5-Dichlorobenzylamine(10541-69-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (90.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2922 8/PG 3 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 25-34 |
| Gefahrensymbole | T,C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 OralSkin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2,5-Dichlorobenzylamine is a dichlorinated benzylamine with inhibitory effect on phenylethanolamine N-methyl transferase.