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4-Brom-N,N-dimethylanilin
N-diMethylaniline · P-BROMO-N,N-DIMETHYLANILINE · p-Br-DMA · 4-BroMo-N · 4-(Dimethylami · 4-Bromo-N,N-dimethyl · BROMODIMETHYLANILINE · Ulipristal Impurity 14
Identifikatoren & physikalische Daten
| CAS No. | 586-77-6 |
|---|---|
| Summenformel | C8H10BrN |
| Durchschnittliche Molmasse | 200,08 g/mol |
| Monoisotopische Masse | 198,99966 g/mol |
| SMILES | CN(C)c1ccc(Br)cc1 |
| InChIKey | XYZWMVYYUIMRIZ-UHFFFAOYSA-N |
| PubChem CID | 11465 |
| ChEMBL | CHEMBL3098160 |
| EC No. | 209-582-2 |
| DTXSID | DTXSID2060414 |
| Lokaler Name | 4-Brom-N,N-dimethylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 95 |
| Physical Description | Off-white crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 52-54 °C (lit.) |
| Siedepunkt | 264 °C (lit.) |
| Dichte | 1.3220 |
| Brechungsindex | 1.5748 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, MethanolSoluble in methanol. Insoluble in water. |
| Aggregatzustand | Crystalline Solid |
| pKa (Säurekonstante) | 4.23(at 25℃) |
| Farbe | White to gray or light blue |
| BRN | 2206155 |
| Stabilität | Stable. Incompatible with oxidizing agents, acids, metals. |
| InChI | 1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3 |
| InChIKey | XYZWMVYYUIMRIZ-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(Br)cc1 |
| CAS Datenbank | 586-77-6(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Bromo-N,N-dimethylaniline(586-77-6) |
| EPA chemische Informationen | N,N-Dimethyl-p-bromoaniline (586-77-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (96.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (96.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 8 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantMay induce methemoglobinemiaHarmful by inhalationToxic by ingestion and skin absorption[Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline. |
| Hazard Classes and Categories | Acute Tox. 4 (98.4%)Acute Tox. 4 (96.9%)Skin Irrit. 2 (98.4%)Eye Irrit. 2 (98.4%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
Anwendungen & Verwendung
Verwenden
4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).