HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorbenzylamin
(4-Chlorophenyl)methanamine · 4-Chlorbenzylamine · RARECHEM AL BW 0027 · TIMTEC-BB SBB004154 · P-CHLOROBENZYLAMINE · 4-CHLOROBENZYLAMINE · Chlorobenzylamine,97% · Benzylamine, p-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 104-86-9 |
|---|---|
| Summenformel | C7H8ClN |
| Durchschnittliche Molmasse | 141,6 g/mol |
| Monoisotopische Masse | 141,03452694 g/mol |
| SMILES | NCc1ccc(Cl)cc1 |
| InChIKey | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
| PubChem CID | 66036 |
| ChEMBL | CHEMBL13218 |
| EC No. | 203-245-3 |
| DTXSID | DTXSID7059307 |
| Lokaler Name | 4-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 | 77 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless liquid with an amine-like odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 277-278 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Siedepunkt | 215 °C (lit.) |
| Dichte | 1.164 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.558(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Not miscible in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.85±0.10(Predicted) |
| Farbe | Clear slightly yellow |
| BRN | 507949 |
| InChI | 1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
| SMILES | NCc1ccc(Cl)cc1 |
| CAS Datenbank | 104-86-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 4-chloro-(104-86-9) |
| EPA chemische Informationen | Benzenemethanamine, 4-chloro- (104-86-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (75.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenemethanamine, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See Benzylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (86.8%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2735 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-34-52-21/22 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Chlorobenzylamine is used as pharmaceutical intermediate.