HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxyphthalsure
AKOS 212-42 · RARECHEM AL BO 1743 · 4-METHOXYPHTALIC ACID · 4-METHOXYPHTHALIC ACID · 4-MethoxyphthalicAcid>Phthalic acid, 4-methoxy- · 4-METHOXYPHTHALIC ACID,98+% · 4-Methoxybenzene-1,2-dicarboxylic acid · 1,2-Benzenedicarboxylic acid, 4-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 1885-13-8 |
|---|---|
| Summenformel | C9H8O5 |
| Durchschnittliche Molmasse | 196,16 g/mol |
| Monoisotopische Masse | 196,03717336 g/mol |
| SMILES | COc1ccc(C(=O)O)c(C(=O)O)c1 |
| InChIKey | JKZSIEDAEHZAHQ-UHFFFAOYSA-N |
| PubChem CID | 74665 |
| EC No. | 217-546-2 |
| DTXSID | DTXSID90172200 |
| Lokaler Name | 4-Methoxyphthalsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 237 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 178 °C(Solv: water (7732-18-5)) |
| Siedepunkt | 394.0±27.0 °C(Predicted) |
| Dichte | 1.416±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.13±0.10(Predicted) |
| Farbe | White to Orange to Green |
| CAS Datenbank | 1885-13-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29189900 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
4-Methylphthalic acid is a phthalic acid derivative used in the preparation of products such as pharmaceuticals, plastics, resins and dyes.