HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromobenzylamine
ObretyliuM · 2-broMoaMine · AURORA KA-7560 · 2-brobenzylamine · 2-BROMOBENZYLAMINE · O-BROMOBENZYLAMINE · RARECHEM AL BW 0008 · 2-Bromobenzylamine 97%
Identifikatoren & physikalische Daten
| CAS No. | 3959-05-5 |
|---|---|
| Summenformel | C7H8BrN |
| Durchschnittliche Molmasse | 186,05 g/mol |
| Monoisotopische Masse | 184,98401 g/mol |
| SMILES | NCc1ccccc1Br |
| InChIKey | NOYASZMZIBFFNZ-UHFFFAOYSA-N |
| PubChem CID | 334072 |
| EC No. | 638-899-2 |
| DTXSID | DTXSID30318983 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 36 °C |
| Siedepunkt | 118-119°C 9mm |
| Dichte | 1.481±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5875-1.591 |
| Flammpunkt | 118-119°C/9mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.52±0.10(Predicted) |
| Farbe | Clear |
| Löslichkeit | Insoluble in Water. Soluble in Alcohol and Ether. |
| InChI | InChI=1S/C7H8BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2 |
| InChIKey | NOYASZMZIBFFNZ-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=CC=C1Br |
| CAS Datenbank | 3959-05-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (11.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (44.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (44.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, 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 9 reports by companies from 5 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 (44.4%)Skin Corr. 1B (100%)Eye Dam. 1 (44.4%) |
| UN-Transportnummer | UN2735 |
| Zollcode | 29214200 |
| R-Sätze (R) | 34-21/22 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Pharmaceutical intermediates. As intermediate in organic synthesis.