HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-4-(4-chlorophenyl)thiazole
4-(4-CHLOROPHENYL)THIAZOL-2-AMINE · f1654 · AURORA 13234 · AKOS B000490 · TOSLAB 14871 · AKOS BBS-00000674 · BUTTPARK 18\03-88 · IFLAB-BB F1912-0041
Identifikatoren & physikalische Daten
| CAS No. | 2103-99-3 |
|---|---|
| Summenformel | C9H7ClN2S |
| Durchschnittliche Molmasse | 210,68 g/mol |
| Monoisotopische Masse | 210,0018469 g/mol |
| SMILES | Nc1nc(-c2ccc(Cl)cc2)cs1 |
| InChIKey | DWGWNNCHJPKZNC-UHFFFAOYSA-N |
| PubChem CID | 73241 |
| ChEMBL | CHEMBL1650273 |
| EC No. | 626-038-3 |
| DTXSID | DTXSID70175234 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 171 |
| LogP (Verteilungskoeffizient) | 3.31 |
| Schmelzpunkt | 169-171 °C(lit.) |
| Siedepunkt | 389.8±17.0 °C(Predicted) |
| Dichte | 1.389±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 3.95±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| BRN | 153889 |
| InChI | 1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12) |
| InChIKey | DWGWNNCHJPKZNC-UHFFFAOYSA-N |
| SMILES | Nc1nc(cs1)-c2ccc(Cl)cc2 |
| LogP (Verteilungskoeffizient) | 3.411 (est) |
| CAS Datenbank | 2103-99-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (94.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (94.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29341000 |
| RTECS-Nr. | XJ1026732 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Amino-4-(4-chlorophenyl)thiazole was used in the preparation of 2-chloroacetamido-4-(4-chlorophenyl)thiazole.