HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 40975Erstellt: 4. November 2026
4-Hydroxy-3-(hydroxymethyl)benzaldehyde
5-Formyl salicyl alcohol · Salbutamol EP Impurity Q · Salbutamol EP Impurity 14 · Albuterol sulfate impurity R · Salbutamol Related Compound 3 · Salbutamol sulfate EP impurity Q · 4-Hydroxy-3-(hydroxymethyl)benzaldehyde · Benzaldehyde, 4-hydroxy-3-(hydroxymethyl)-
https://huagongshe.com/de/chemical/40975
Identifikatoren & physikalische Daten
| CAS No. | 54030-32-9 |
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| Summenformel | C8H8O3 |
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| Durchschnittliche Molmasse | 152,15 g/mol |
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| Monoisotopische Masse | 152,04734411 g/mol |
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| SMILES | O=Cc1ccc(O)c(CO)c1 |
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| InChIKey | SCXZNYRQOPBUTM-UHFFFAOYSA-N |
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| PubChem CID | 40975 |
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| EC No. | 862-829-1 |
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| DTXSID | DTXSID10202371 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 135 |
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| Schmelzpunkt | 142-145 °C |
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| Siedepunkt | 342.6±32.0 °C(Predicted) |
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| Dichte | 1.342±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 7.74±0.18(Predicted) |
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| Hauptanwendungen | pharmaceutical small molecule |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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Anwendungen & Verwendung
Verwenden
4-Hydroxy-3-(hydroxymethyl)benzaldehyde is an impurity of Albuterol (A514501) which is a β2-adrenoceptor agonist, a bronchodilator and a tocolytic. 4-Hydroxy-3-(hydroxymethyl)benzaldehyde is also used in the preparation of Cinnamyl alcohol-like compounds which can be used for treatment of free radical generated related diseases inlcuding auto-immunodeficiency diseases. It is also used as a reagent in the synthesis of 5-Diacetoxymethyl-cycloSal-d4TMP which is a prototype of enzymatically activated cycloSal-pronucleotides that may possess antiviral activities against HIV.
