HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxy-p-toluylsure
NSC 75850 · NSC 67717 · 3,4-CRESOTIC ACID · 3-Hydroxy-p-toluylsure · 3-HYDROXY-P-TOLUIC ACID · 5-Carboxy-2-methylphenol · 3-Hydroxy-4-methylbenzoic · 4-Carboxy-2-hydroxytoluene
Identifikatoren & physikalische Daten
| CAS No. | 586-30-1 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | Cc1ccc(C(=O)O)cc1O |
| InChIKey | ZQLCWPXBHUALQC-UHFFFAOYSA-N |
| PubChem CID | 68512 |
| EC No. | 209-571-2 |
| DTXSID | DTXSID40207319 |
| Lokaler Name | 3-Hydroxy-p-toluylsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 205-210 °C(lit.) |
| Siedepunkt | 234.6°C (rough estimate) |
| Dichte | 1.2143 (rough estimate) |
| Brechungsindex | 1.4447 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 4.25±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| Löslichkeit | 43.5g/L(100 ºC) |
| BRN | 1936497 |
| CAS Datenbank | 586-30-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (94.2%) |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 29182990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Methyl Hydroxybenzoic Acid is also used in the preparation of a potent tie-2 kinase inhibitor in the inhibition of angiogenesis and tumor suppression. Used in the preparation of inhibitors of phosphatine kinases.