HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-N,N-dimethylaniline
3-Bromo-N< · 3-Bromo-N,N-dimethyL · M-BROMODIMETHYL ANILINE · N,N-DIMETHYL-3-BROMOANILINE · m-Bromo-N,N-dimethylaniline · 3-Bromo-N,N-dimethylaniline · (3-BroMophenyl)diMethylaMine · N-(3-Bromophenyl)dimethylamine
Identifikatoren & physikalische Daten
| CAS No. | 16518-62-0 |
|---|---|
| Summenformel | C8H10BrN |
| Durchschnittliche Molmasse | 200,08 g/mol |
| Monoisotopische Masse | 198,99966142 g/mol |
| SMILES | CN(C)c1cccc(Br)c1 |
| InChIKey | USEXQPWLCGBYNT-UHFFFAOYSA-N |
| PubChem CID | 140102 |
| EC No. | 605-393-8 |
| DTXSID | DTXSID70167856 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 11°C |
| Siedepunkt | 126°C 14mm |
| Dichte | 1.402 g/mL at 25 °C |
| Brechungsindex | 1.6004 |
| Flammpunkt | 126°C/14mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Miscible with chloroform, dichloromethane and methanol. |
| pKa (Säurekonstante) | 3.90±0.10(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Yellow |
| BRN | 2079908 |
| InChI | InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3 |
| InChIKey | USEXQPWLCGBYNT-UHFFFAOYSA-N |
| SMILES | C1(N(C)C)=CC=CC(Br)=C1 |
| CAS Datenbank | 16518-62-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (28.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 2921420090 |
| R-Sätze (R) | 20/21/22-33 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Irrit. 2STOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Bromo-N,N-dimethylaniline is involved in fluorination using metal fluoride in the presence of 2-(di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl (AdBrettPhos)-based Pd precatalyst, used to prepare 3-fluoro-N,N- dimethylaniline.