HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Benzothiazolamine, 6-bromo-
6-BROMOBENZO[D]THIAZOL-2-AMINE · 6-BROMO-1,3-BENZOTHIAZOL-2-AMINE · MB-PP1 · AKOS B000348 · ART-CHEM-BB B000348 · IFLAB-BB F1386-0398 · 6-bromo-2-benzothiazolamin · 2-AMINO-6-BROMO BENTHIAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 15864-32-1 |
|---|---|
| Summenformel | C7H5BrN2S |
| Durchschnittliche Molmasse | 229,1 g/mol |
| Monoisotopische Masse | 227,93568126 g/mol |
| SMILES | Nc1nc2ccc(Br)cc2s1 |
| InChIKey | VZEBSJIOUMDNLY-UHFFFAOYSA-N |
| PubChem CID | 85149 |
| ChEMBL | CHEMBL98352 |
| EC No. | 629-076-9 |
| DTXSID | DTXSID7065960 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 213-217 °C (lit.) |
| Siedepunkt | 366.8±34.0 °C(Predicted) |
| Dichte | 1.836±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 3.30±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| InChI | InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10) |
| InChIKey | VZEBSJIOUMDNLY-UHFFFAOYSA-N |
| SMILES | S1C2=CC(Br)=CC=C2N=C1N |
| CAS Datenbank | 15864-32-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Amino-6-bromobenzothiazole(15864-32-1) |
| EPA chemische Informationen | 2-Benzothiazolamine, 6-bromo- (15864-32-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 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. 4 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29342000 |
| R-Sätze (R) | 22-36-43 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Sens. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-6-bromobenzothiazole may be used in the synthesis of the following 2-amino-6-arylbenzothiazole compounds:6-p-tolylbenzo[d]thiazole-2-amine6-(4chlorophenyl)benzo[d]thiazole-2-amine6-(4-methoxyphenyl)benzo[d]thiazole-2-amine 6-(3,5-bis(triflouromethyl)phenyl)benzo[d]thiazole-2-amine6-phenylbenzo[d]thiazole-2-amineIt may be employed as a ligand (L) in the synthesis of organometallic derivatives of Rh(I) [Rh(CO)2(L)(Cl)].