HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74115Erstellt: 26. Oktober 2026
4-Amino-3-nitrobenzoesure
RARECHEM AL BO 0261 · 4-Carboxy-2-nitroaniline · 4-Amino-3-nitro-benzoesure · 4-amino-3-nitro-benzoicaci · 3-Nitro-4-aminobenozic acid · 4-amino-3-nitorobenzoicacid · 4-AMINO-3-NITROBENZOIC ACID · 3-NITRO-4-AMINO BENZOIC ACID
https://huagongshe.com/de/chemical/74115
Identifikatoren & physikalische Daten
| CAS No. | 1588-83-6 |
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| Summenformel | C7H6N2O4 |
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| Durchschnittliche Molmasse | 182,13 g/mol |
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| Monoisotopische Masse | 182,03275667 g/mol |
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| SMILES | Nc1ccc(C(=O)O)cc1[N+](=O)[O-] |
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| InChIKey | ZZNAYFWAXZJITH-UHFFFAOYSA-N |
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| PubChem CID | 74115 |
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| ChEMBL | CHEMBL1558258 |
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| EC No. | 216-453-4 |
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| DTXSID | DTXSID7061805 |
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| Lokaler Name | 4-Amino-3-nitrobenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 109 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 225 |
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| Löslichkeit | >27.3 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 280 °C (dec.) (lit.) |
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| Siedepunkt | 315.51°C (rough estimate) |
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| Dichte | 1.5181 (rough estimate) |
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| Brechungsindex | 1.5880 (estimate) |
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| Flammpunkt | 290°C |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 4.19±0.10(Predicted) |
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| Farbe | Ochre to yellow |
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| Decomposition | 290 ºC |
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| BRN | 645206 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11) |
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| InChIKey | ZZNAYFWAXZJITH-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(N)C([N+]([O-])=O)=C1 |
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| CAS Datenbank | 1588-83-6(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzoic acid, 4-amino-3-nitro-(1588-83-6) |
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| EPA chemische Informationen | Benzoic acid, 4-amino-3-nitro- (1588-83-6) |
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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 50 reports by companies from 9 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) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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