HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,4-Dihydroxymandelsure
C07470 · Isoproternol Impurity · Dihydroxymandelic acid · Adrenaline Impurity 128 · Isoprenaline Impurity 35 · 3,4-dihydroxymandelic acid · rac 3,4-DihydroxyMandelic Acid · DL-3,4-Dihydroxymandelic Acid >α,3,4-Trihydroxybenzeneacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 14883-87-5 |
|---|---|
| Summenformel | C8H8O5 |
| Durchschnittliche Molmasse | 184,15 g/mol |
| Monoisotopische Masse | 184,03717336 g/mol |
| SMILES | O=C(O)C(O)c1ccc(O)c(O)c1 |
| InChIKey | RGHMISIYKIHAJW-UHFFFAOYSA-N |
| PubChem CID | 85782 |
| ChEBI | CHEBI:27637 |
| EC No. | 212-269-3 |
| DTXSID | DTXSID30862411 |
| Lokaler Name | 3,4-Dihydroxymandelsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 98 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 193 |
| Physical Description | Solid |
| Collision Cross Section | 137.4 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]132 Ų [M+H-H2O]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]137.7 Ų [M-H]- |
| Schmelzpunkt | 136-137 °C (dec.) |
| Siedepunkt | 487.5±40.0 °C(Predicted) |
| Dichte | 1.644±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.42±0.10(Predicted) |
| Farbe | White to Pale Beige |
| Stabilität | Light , Temperature and Air Sensitive |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2918.29.7500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
A protein kinase C inhibitor.