HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Benzimidazolecarboxylic acid
1H-benzo[d]iMidazole-5-carboxylic acid · 1H-Benzo[d]iMidazole-6-carboxylic acid · 5-BENZIMIDAZOLECARBOXYLIC ACID · 5-BenziMidazolecarboxylic Acid , 97.0%(T) · AURORA 9842 · AKOS BBS-00000435 · BenziMidazole-5-acid · OTAVA-BB BB7014211630
Identifikatoren & physikalische Daten
| CAS No. | 15788-16-6 |
|---|---|
| Summenformel | C8H6N2O2 |
| Durchschnittliche Molmasse | 162,15 g/mol |
| Monoisotopische Masse | 162,04292743 g/mol |
| SMILES | O=C(O)c1ccc2nc[nH]c2c1 |
| InChIKey | COYPLDIXZODDDL-UHFFFAOYSA-N |
| PubChem CID | 459456 |
| ChEMBL | CHEMBL1774061 |
| EC No. | 605-112-9 |
| DTXSID | DTXSID70332648 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 195 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 288.82°C (rough estimate) |
| Dichte | 1.3264 (rough estimate) |
| Brechungsindex | 1.5770 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.10±0.30(Predicted) |
| Farbe | Green-gray to gray-brown |
| BRN | 5686 |
| InChI | InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12) |
| InChIKey | COYPLDIXZODDDL-UHFFFAOYSA-N |
| SMILES | C1NC2=CC(C(O)=O)=CC=C2N=1 |
| CAS Datenbank | 15788-16-6(CAS DataBase Reference) |
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 47 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A benzimidazole derivative that exhibits corrosion inhibiting properties against strong acids.