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4-Phenylthiazol-2-amin
4-phenylthiazol-2-amine · AURORA 5314 · TOSLAB 3052 · AKOS BC-0800 · AKOS B000316 · phenthiazamine · ASISCHEM T31190 · BUTTPARK 41\09-31
Identifikatoren & physikalische Daten
| CAS No. | 2010-06-2 |
|---|---|
| Summenformel | C9H8N2S |
| Durchschnittliche Molmasse | 176,24 g/mol |
| Monoisotopische Masse | 176,04081926 g/mol |
| SMILES | Nc1nc(-c2ccccc2)cs1 |
| InChIKey | PYSJLPAOBIGQPK-UHFFFAOYSA-N |
| PubChem CID | 40302 |
| ChEMBL | CHEMBL175296 |
| EC No. | 217-926-8 |
| DTXSID | DTXSID4043804 |
| Lokaler Name | 4-Phenylthiazol-2-amin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 145 |
| LogP (Verteilungskoeffizient) | 2.43 |
| Schmelzpunkt | 149-153 °C (lit.) |
| Siedepunkt | 363.4±11.0 °C(Predicted) |
| Dichte | 1.261±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 12 mg/mlEthanol:PBS (pH 7.2) (1:10): 0.1 mg/ml |
| pKa (Säurekonstante) | 4.33±0.10(Predicted) |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to yellow to pale orange |
| BRN | 128609 |
| InChI | 1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11) |
| InChIKey | PYSJLPAOBIGQPK-UHFFFAOYSA-N |
| SMILES | Nc1nc(cs1)-c2ccccc2 |
| CAS Datenbank | 2010-06-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiazolamine, 4-phenyl-(2010-06-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| Zollcode | 29341000 |
| RTECS-Nr. | XJ2878000 |
| R-Sätze (R) | 22-37/38-41-25 |
| Toxizität | mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00815, |
| Gefahrensymbole | Xn,Xi,T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Beschreibung
2-amino-4-phenyl Thiazole is a synthetic intermediate useful for pharmaceutical synthesis.