HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromanilin
M-BROMOANILINE · 3-bromobenzenamine · 3-BROMO-PHENYLAMINE · 3BBA · NSC 10298 · 3-BromoaniL · 3-Brooaniline · m-bromo-anilin
Identifikatoren & physikalische Daten
| CAS No. | 591-19-5 |
|---|---|
| Summenformel | C6H6BrN |
| Durchschnittliche Molmasse | 172,02 g/mol |
| Monoisotopische Masse | 170,96836129 g/mol |
| SMILES | Nc1cccc(Br)c1 |
| InChIKey | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
| PubChem CID | 11562 |
| EC No. | 209-704-4 |
| DTXSID | DTXSID4060448 |
| Lokaler Name | 3-Bromanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.1 |
| Dampfdruck | 0.04 [mmHg] |
| Physical Description | Clear light yellow liquidmp = 15-18 deg C[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 16.8 °C |
| Siedepunkt | 251 °C(lit.) |
| Dichte | 1.58 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.625(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate, Methanol (Slightly)insoluble |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.58(at 25℃) |
| Wichte | 1.580 |
| Farbe | White to beige |
| BRN | 742028 |
| Dielektrizitätskonstante | 13.0(19℃) |
| Stabilität | Hygroscopic |
| InChI | 1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
| SMILES | Nc1cccc(Br)c1 |
| CAS Datenbank | 591-19-5(CAS DataBase Reference) |
| NIST chemische Informationen | 3-BrC6H4NH2(591-19-5) |
| EPA chemische Informationen | m-Bromoaniline (591-19-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 3-bromo-3-Bromoaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LDLo (rat) = 140 mg/kg[RTECS] A skin and strong eye irritantMay induce methemoglobinemiaMay cause liver and kidney injuryHarmful by ingestion and skin absorption[Sigma-Aldrich MSDS] See 3-Chloroaniline. |
| Hazard Classes and Categories | Acute Tox. 4 (91.8%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| Zollcode | 29214210 |
| RTECS-Nr. | CX9855300 |
| R-Sätze (R) | 23/24/25-33-38-36/37/38-20/21/22-21/22 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Verwenden
3-Bromoaniline is used in the synthesis of amino substituted quinazoline.