HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 239342Erstellt: 24. Oktober 2026
3-Amino-5-nitrobenzoic acid
3-amino-5-nitro- · 3-amino-5-nitrobenzoate · 3-NITRO-5-AMINOBENZOIC ACID · 3-AMINO-5-NITROBENZOIC ACID · 5-NITRO-3-AMINOBENZOIC ACID · 3-Amino-5-nitrobenzoicacid98% · Benzoic acid, 3-amino-5-nitro- · 3-Amino-5-nitrobenzoic acid 98%
https://huagongshe.com/de/chemical/239342
Identifikatoren & physikalische Daten
| CAS No. | 618-84-8 |
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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 | Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 |
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| InChIKey | ZNVHAQRPXAQKRU-UHFFFAOYSA-N |
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| PubChem CID | 239342 |
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| EC No. | 629-986-6 |
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| DTXSID | DTXSID90286230 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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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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| Schmelzpunkt | 210-212°C |
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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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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 3+-.0.10(Predicted) |
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| BRN | 1457935 |
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| CAS Datenbank | 618-84-8(CAS DataBase Reference) |
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| NIST chemische Informationen | 3-Amino-5-nitrobenzoic acid(618-84-8) |
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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 7 reports by companies from 4 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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| 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) | 26-36/37/39-36 |
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| Gefahrenklasse | IRRITANT |
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