HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzenemethanamine, 3-bromo-
(3-BroMophenyl)MethanaMine · m-Bromobenzylamine · 3-BROMOBENZYLAMINE · TIMTEC-BB SBB005796 · RARECHEM AL BW 0018 · 3-Bromobenzylamine >3-Bromobenzylamine 98% · 3-Bromobenzylamine,99% · 3-Bromobenzylamine, 97%
Identifikatoren & physikalische Daten
| CAS No. | 10269-01-9 |
|---|---|
| Summenformel | C7H8BrN |
| Durchschnittliche Molmasse | 186,05 g/mol |
| Monoisotopische Masse | 184,98401 g/mol |
| SMILES | NCc1cccc(Br)c1 |
| InChIKey | SUYJXERPRICYRX-UHFFFAOYSA-N |
| PubChem CID | 457587 |
| ChEMBL | CHEMBL139288 |
| EC No. | 679-024-4 |
| DTXSID | DTXSID70145457 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Siedepunkt | 245°C(lit.) |
| Dichte | 1.48g/ml |
| Brechungsindex | 1.584-1.586 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.77±0.10(Predicted) |
| Farbe | Clear colorless to yellow |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChIKey | SUYJXERPRICYRX-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=CC(Br)=C1 |
| CAS Datenbank | 10269-01-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%)Skin Corr. 1B (100%)Eye Dam. 1 (16.7%) |
| UN-Transportnummer | UN2735 |
| Zollcode | 29214900 |
| R-Sätze (R) | 34-21/22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 45-36/37/39-26 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3-Bromobenzylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.