HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Guanidinobenzoesurehydrochlorid
4-GUANIDINOBENZOIC ACID HCL · p-Guanidinobenzoic acid · p-Guanidinobenzoic acid hydrochloride · 4-g · TIMTEC-BB SBB003396 · 4-Guanidinobenzoic a · Taletrectinib Impurity10 · Nafamostat Impurity 9 HCl
Identifikatoren & physikalische Daten
| CAS No. | 42823-46-1 |
|---|---|
| Summenformel | C8H10ClN3O2 |
| Durchschnittliche Molmasse | 215,64 g/mol |
| Monoisotopische Masse | 215,0461543 g/mol |
| SMILES | Cl.NC(N)=Nc1ccc(C(=O)O)cc1 |
| InChIKey | YETFLAUJROGBMC-UHFFFAOYSA-N |
| PubChem CID | 3084875 |
| EC No. | 255-956-3 |
| DTXSID | DTXSID40195500 |
| Lokaler Name | 4-Guanidinobenzoesurehydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 102 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 215 |
| Schmelzpunkt | 285 °C (dec.)(lit.) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO,(Slightly) Methanol (Slightly), Water (Slightly)soluble |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 3718032 |
| InChI | InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)1H |
| InChIKey | YETFLAUJROGBMC-UHFFFAOYSA-N |
| SMILES | C1(NC(=N)N)=CC=C(C(=O)O)C=C1.Cl |
| CAS Datenbank | 42823-46-1(CAS DataBase Reference) |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 4-guanidinobenzoic acid hydrochloride (EC: 255-956-3)Benzoic acid, 4-(aminoiminomethyl)amino-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29252000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Guanidinobenzoic acid hydrochloride may be used in ELISA inhibition assay of mouse antiserum. It may be used in the synthesis of human acrosin inhibitor 4′-acetaminophenyl 4-guanidinobenzoate hydrochloride.2