HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methylthiazole-5-carboxaldehyde
MFTA · FMT · 5-FORMYL-4-METHYLTHIAZOLE · 4-METHYL-5-FORMYLTHIAZOLE · F2124-0219 · IFLAB-BB F2124-0219 · 4-METHYLTHIAZOLE-5-ALDEHYDE · 4-Methyl-5-thiazole aldehyde
Identifikatoren & physikalische Daten
| CAS No. | 82294-70-0 |
|---|---|
| Summenformel | C5H5NOS |
| Durchschnittliche Molmasse | 127,17 g/mol |
| Monoisotopische Masse | 127,00918478 g/mol |
| SMILES | Cc1ncsc1C=O |
| InChIKey | JJVIEMFQPALZOZ-UHFFFAOYSA-N |
| PubChem CID | 581339 |
| EC No. | 617-314-4 |
| DTXSID | DTXSID50342386 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 96,4 |
| Schmelzpunkt | 74-78 °C (lit.) |
| Siedepunkt | 118°C/21mmHg(lit.) |
| Dichte | 1.270±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.53±0.10(Predicted) |
| Farbe | White to Light yellow to Light orange |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3 |
| InChIKey | JJVIEMFQPALZOZ-UHFFFAOYSA-N |
| SMILES | S1C(C=O)=C(C)N=C1 |
| LogP (Verteilungskoeffizient) | 0.320 (est) |
| CAS Datenbank | 82294-70-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 5-Thiazolecarboxaldehyde, 4-methyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Eye Dam. 1 (95.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29341000 |
| R-Sätze (R) | 41-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | IRRITANTEye Dam. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methylthiazole-5-carboxaldehyde is used as pharmaceutical intermediate.