HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlorbenzylamin
(3-Chlorophenyl)methanamine · TIMTEC-BB SBB004155 · RARECHEM AL BW 0019 · 3-CHLOROBENZYLAMINE · M-CHLOROBENZYL AMINE · 3-Chlorobenzylamine 97% · 3-Chlorobenzylamine,98% · 3-Chlorobenzylamine >3-Chlorobenzylamine, 97+%
Identifikatoren & physikalische Daten
| CAS No. | 4152-90-3 |
|---|---|
| Summenformel | C7H8ClN |
| Durchschnittliche Molmasse | 141,6 g/mol |
| Monoisotopische Masse | 141,03452694 g/mol |
| SMILES | NCc1cccc(Cl)c1 |
| InChIKey | BJFPYGGTDAYECS-UHFFFAOYSA-N |
| PubChem CID | 77802 |
| ChEMBL | CHEMBL12957 |
| EC No. | 223-985-0 |
| DTXSID | DTXSID4063323 |
| Lokaler Name | 3-Chlorbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 97-98 °C |
| Siedepunkt | 110-112 °C/17 mmHg (lit.) |
| Dichte | 1.159 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.559(lit.) |
| Flammpunkt | 209 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 8.77±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.159 |
| Farbe | Clear colorless to faint yellow |
| BRN | 774509 |
| InChI | 1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChIKey | BJFPYGGTDAYECS-UHFFFAOYSA-N |
| SMILES | NCc1cccc(Cl)c1 |
| CAS Datenbank | 4152-90-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 3-chloro-(4152-90-3) |
| EPA chemische Informationen | Benzenemethanamine, 3-chloro- (4152-90-3) |
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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214990 |
| R-Sätze (R) | 34-20/21/22-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-36 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Chlorobenzylamine is used as pharmaceutical, pesticide and dye intermediates. It is used in the synthesis of 3-Chlorobenzamide and N-(3-Chlorobenzyl)-4-(2-indolyl)-2-pyrimidinamine.