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3,4-Dichlorbenzylamin
RARECHEM AL BW 0352 · 3,4-Dichlorobenzylam · Olanexidine Impurity 9 · 3,4-DICHLOROBENZYLAMINE · 3,4-Dichlorobenzylamine>benzylamine, 3,4-dichloro- · 3,4-DICHLOROBENZYLAMINE 98% · 3,4-Dichlorobenzylamine,98% · 3,4-Dichlorobenzenemethanamine
Identifikatoren & physikalische Daten
| CAS No. | 102-49-8 |
|---|---|
| Summenformel | C7H7Cl2N |
| Durchschnittliche Molmasse | 176,04 g/mol |
| Monoisotopische Masse | 174,99555458 g/mol |
| SMILES | NCc1ccc(Cl)c(Cl)c1 |
| InChIKey | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
| PubChem CID | 1608 |
| ChEMBL | CHEMBL276152 |
| EC No. | 203-035-1 |
| DTXSID | DTXSID9059254 |
| Lokaler Name | 3,4-Dichlorbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 108 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 332-333 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Siedepunkt | 80-82 °C (0.6 mmHg) |
| Dichte | 1.32 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.578(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 8.56±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.322 |
| Farbe | Clear colorless to light yellow |
| BRN | 508818 |
| InChI | 1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2 |
| InChIKey | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
| SMILES | NCc1ccc(Cl)c(Cl)c1 |
| CAS Datenbank | 102-49-8(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenemethanamine, 3,4-dichloro- (102-49-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant/Air Sensitive |
| Sicherheitshinweise (S) | 23-26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,4-Dichlorobenzylamine is a benzylamine compound. Benzylamines are a class of small-molecule compounds with simple structures, widely present in the biological world, with extremely important physiological and pharmacological activities, and are widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have the structure of benzylamine.