HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombenzylamin
(4-Bromophenyl)methanamine · P-BROMOBENZYLAMINE · OfBRETYLIUM · ThebretyliuM · AURORA KA-7547 · 4-BROMOBENZYLAMINE · RARECHEM AL BW 0025 · 4-Bromobenzylamine,99%
Identifikatoren & physikalische Daten
| CAS No. | 3959-07-7 |
|---|---|
| Summenformel | C7H8BrN |
| Durchschnittliche Molmasse | 186,05 g/mol |
| Monoisotopische Masse | 184,98401136 g/mol |
| SMILES | NCc1ccc(Br)cc1 |
| InChIKey | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| PubChem CID | 77571 |
| ChEMBL | CHEMBL138621 |
| EC No. | 223-559-4 |
| DTXSID | DTXSID70192704 |
| Lokaler Name | 4-Brombenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| Schmelzpunkt | 25 °C(lit.) |
| Siedepunkt | 110-112 °C30 mm Hg(lit.) |
| Dichte | 1.473 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.5855-1.5875 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.85±0.10(Predicted) |
| Farbe | Clear colorless |
| InChI | InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=C(Br)C=C1 |
| CAS Datenbank | 3959-07-7(CAS DataBase Reference) |
| NIST chemische Informationen | p-Bromobenzylamine(3959-07-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3259 8/PG 2 |
| Zollcode | 29214990 |
| R-Sätze (R) | 34-21/22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Bromobenzylamine (p-Bromobenzylamine) may be used to synthesize 7-[(p-bromobenzyl)ureido]-7,8-dihydro-α-bisabolene.It may be used to synthesize the following 4-biphenylmethylamine derivatives:(4′-fluoro-4-biphenyl)methylamine(4′-methoxy-4-biphenyl)methylamine(2′-methoxy-4-biphenyl)methylamine(3′-cyano-4-biphenyl)methylamine