HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brom-m-toluidin
3-Methyl-4-bromoaniline · AKOS BBS-00003654 · 4-BROMO-M-TOLUIDINE · 4-Bromo-3-methylanil · m-Toluidine, 4-bromo- · 5-AMINO-2-BROMOTOLUENE · 4-BROMO-3-METHYLANILINE · 4-Bromo-3-methylbenzenamine
Identifikatoren & physikalische Daten
| CAS No. | 6933-10-4 |
|---|---|
| Summenformel | C7H8BrN |
| Durchschnittliche Molmasse | 186,05 g/mol |
| Monoisotopische Masse | 184,98401136 g/mol |
| SMILES | Cc1cc(N)ccc1Br |
| InChIKey | MMEGELSFOYDPQW-UHFFFAOYSA-N |
| PubChem CID | 23359 |
| EC No. | 230-056-3 |
| DTXSID | DTXSID10219383 |
| Lokaler Name | 4-Brom-m-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 2.53 |
| Schmelzpunkt | 80-82 °C (lit.) |
| Siedepunkt | 240 °C (lit.) |
| Dichte | 1.4700 (rough estimate) |
| Brechungsindex | 1.6190 (estimate) |
| Flammpunkt | 239-241°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.02±0.10(Predicted) |
| Farbe | Off-white to beige to light brown |
| BRN | 2689600 |
| InChI | InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3 |
| InChIKey | MMEGELSFOYDPQW-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(Br)C(C)=C1 |
| CAS Datenbank | 6933-10-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-bromo-3-methyl-(6933-10-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (91.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 2921420090 |
| R-Sätze (R) | 20/21/22-36/37/38-33 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromo-3-methylaniline was used in the preparation of 1-(4-bromo-3-methylphenyl)pyrrolidin-2-one.