HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 13623Erstellt: 25. Oktober 2026
Benzimidazol-5-ylamin
6-aminobenzimidazole · 1H-BENZO[D]IMIDAZOL-6-AMINE · 1H-Benzimidazol-6-amine · 1H-BENZOIMIDAZOL-5-YLAMINE · NSC 231612 · TIMTEC-BB SBB010145 · 5-amino-benzimidazol · 6-amino-benzimidazol
https://huagongshe.com/de/chemical/13623
Identifikatoren & physikalische Daten
| CAS No. | 934-22-5 |
|---|
| Summenformel | C7H7N3 |
|---|
| Durchschnittliche Molmasse | 133,15 g/mol |
|---|
| Monoisotopische Masse | 133,06399722 g/mol |
|---|
| SMILES | Nc1ccc2nc[nH]c2c1 |
|---|
| InChIKey | WFRXSXUDWCVSPI-UHFFFAOYSA-N |
|---|
| PubChem CID | 13623 |
|---|
| ChEMBL | CHEMBL1617811 |
|---|
| EC No. | 213-279-0 |
|---|
| DTXSID | DTXSID70239406 |
|---|
| Lokaler Name | Benzimidazol-5-ylamin |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|
| Polarare Oberfläche (TPSA) | 54,7 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 126 |
|---|
| Schmelzpunkt | 163-168 °C |
|---|
| Siedepunkt | 222°C/3.5mmHg(lit.) |
|---|
| Dichte | 1.367 |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Löslichkeit | slightly sol. in Methanol |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 14.47±0.30(Predicted) |
|---|
| Farbe | Light yellow to Brown |
|---|
| InChI | InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10) |
|---|
| InChIKey | WFRXSXUDWCVSPI-UHFFFAOYSA-N |
|---|
| SMILES | C1NC2=CC(N)=CC=C2N=1 |
|---|
| CAS Datenbank | 934-22-5(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.WarningH302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (93.2%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 2933998090 |
|---|
| RTECS-Nr. | DD5785000 |
|---|
| R-Sätze (R) | 36/37/38-36-22 |
|---|
| Gefahrensymbole | Xi,Xn |
|---|
| Sicherheitshinweise (S) | 26-36/37/39 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
