HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Imidazole-1-acetic acid
2-(1H-IMIDAZOL-1-YL)ACETIC ACID · 1H-IMIDAZOLE-1-ACETIC ACID · Imidazole-1-acetic acid · IMidazole-1-yl-acetic acid · 1H-Imidazole-1-acetic · 2-(1-IMIDAZOLYL)ACETIC ACID · Zoledronic Acid EP Impurity D · (1-ImidazoL
Identifikatoren & physikalische Daten
| CAS No. | 22884-10-2 |
|---|---|
| Summenformel | C5H6N2O2 |
| Durchschnittliche Molmasse | 126,11 g/mol |
| Monoisotopische Masse | 126,04292743 g/mol |
| SMILES | O=C(O)Cn1ccnc1 |
| InChIKey | QAFBDRSXXHEXGB-UHFFFAOYSA-N |
| PubChem CID | 656129 |
| ChEMBL | CHEMBL297390 |
| ChEBI | CHEBI:70801 |
| EC No. | 607-175-8 |
| DTXSID | DTXSID20177425 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 116 |
| Schmelzpunkt | 268 - 269 °C258 °C |
| Physical Description | Solid |
| Siedepunkt | 392.1±25.0 °C(Predicted) |
| Dichte | 1.33±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Water (Slightly) |
| pKa (Säurekonstante) | 3.37±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Beige |
| InChI | InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9) |
| InChIKey | QAFBDRSXXHEXGB-UHFFFAOYSA-N |
| SMILES | C1N(CC(O)=O)C=CN=1 |
| CAS Datenbank | 22884-10-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.DangerH315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (91.3%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2933399090 |
| R-Sätze (R) | 36/37/38-41-37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | IRRITANTEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
An impurity arising in the synthesis of zoledronic acid (Z623500).