HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzoylameisensaeure
2-Oxo-2-phenylacetic acid · PHENYLGLYOXYLIC ACID · Phenylglyoxalic acid · Glycopyrronium Bromide EP Impurity B · Caa 0869 · Lfc 1849 · Benzoylformate · alpha-Ketophenyl
Identifikatoren & physikalische Daten
| CAS No. | 611-73-4 |
|---|---|
| Summenformel | C8H6O3 |
| Durchschnittliche Molmasse | 150,13 g/mol |
| Monoisotopische Masse | 150,03169405 g/mol |
| SMILES | O=C(O)C(=O)c1ccccc1 |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| PubChem CID | 11915 |
| ChEMBL | CHEMBL950 |
| ChEBI | CHEBI:18280 |
| EC No. | 210-278-7 |
| DTXSID | DTXSID80209993 |
| Lokaler Name | Benzoylameisensaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 168 |
| Löslichkeit | 920000920.0 mg/mL at 0 °Cmethanol: 0.1 g/mL, clearvery faint turbidity |
| Siedepunkt | 16384 °C0.1 mm Hg |
| Schmelzpunkt | 6666 °C62-65 °C(lit.) |
| Physical Description | Light yellow crystalline solid[Sigma-Aldrich MSDS] |
| Dichte | 1.38 |
| Brechungsindex | 1.4500 (estimate) |
| Flammpunkt | 147-151°C/12mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 2.15±0.54(Predicted) |
| Aggregatzustand | Adhering Crystals, Crystalline Powder or Chunks |
| Farbe | White to light yellow |
| BRN | 606718 |
| InChI | 1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| SMILES | OC(=O)C(=O)c1ccccc1 |
| CAS Datenbank | 611-73-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoylformic acid(611-73-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (94.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (98%)Eye Irrit. 2A (98%)STOT SE 3 (94.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29183000 |
| RTECS-Nr. | DA1480000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 ivn-mus: 180 mg/kg CSLNX* NX#04110 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-28-36-28A-24-22-37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Phenylglyoxylic Acid (cas# 611-73-4) is a compound useful in organic synthesis.