HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 37879Erstellt: 23. Oktober 2026
5-Amino-2-chlorbenzoesure
2,5-CABA · 3-CARBOXY-4-CHLOROANILINE · 5-amino-2-chloro-benzoicaci · 5-AMINO-2-CHLOROBENZOIC ACID · 3-AMINO-6-CHLOROBENZOIC ACID · 2-CHLORO-5-AMINO BENZOIC ACID · 5-helium-2-chlorobenzoic acid · Benzoic acid, 5-amino-2-chloro-
https://huagongshe.com/de/chemical/37879
Identifikatoren & physikalische Daten
| CAS No. | 89-54-3 |
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| Summenformel | C7H6ClNO2 |
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| Durchschnittliche Molmasse | 171,58 g/mol |
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| Monoisotopische Masse | 171,00870611 g/mol |
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| SMILES | Nc1ccc(Cl)c(C(=O)O)c1 |
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| InChIKey | GVCFFVPEOLCYNN-UHFFFAOYSA-N |
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| PubChem CID | 37879 |
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| EC No. | 201-916-5 |
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| DTXSID | DTXSID4058992 |
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| Lokaler Name | 5-Amino-2-chlorbenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 163 |
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| Schmelzpunkt | 184-188 °C (lit.) |
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| Siedepunkt | 250°C (rough estimate) |
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| Dichte | 1.5 |
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| Brechungsindex | 1.5570 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | 479mg/l |
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| pKa (Säurekonstante) | 1.99±0.25(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow |
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| BRN | 2090422 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11) |
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| InChIKey | GVCFFVPEOLCYNN-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC(N)=CC=C1Cl |
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| CAS Datenbank | 89-54-3(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoic acid, 5-amino-2-chloro- (89-54-3) |
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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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29224999 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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