HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69122Erstellt: 27. Oktober 2026
Nitroterephthalsure
2-NITROTEREPHTHALIC ACID · DK7278 · NitroterephthaL · Nitroterephthalicaci · NITROTEREPHTHALIC ACID · 2-Nitro-p-phthalic acid · 3-Nitroterephthalic acid · NitroterephthalicAcid>2-NITRO-1,4-DIBENZOIC ACID
https://huagongshe.com/de/chemical/69122
Identifikatoren & physikalische Daten
| CAS No. | 610-29-7 |
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| Summenformel | C8H5NO6 |
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| Durchschnittliche Molmasse | 211,13 g/mol |
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| Monoisotopische Masse | 211,01168688 g/mol |
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| SMILES | O=C(O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 |
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| InChIKey | QUMITRDILMWWBC-UHFFFAOYSA-N |
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| PubChem CID | 69122 |
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| EC No. | 210-217-4 |
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| DTXSID | DTXSID8060583 |
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| Lokaler Name | Nitroterephthalsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 120 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 296 |
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| Schmelzpunkt | 270-272 °C (lit.) |
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| Siedepunkt | 350.79°C (rough estimate) |
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| Dichte | 1.6342 (rough estimate) |
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| Brechungsindex | 1.5282 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | almost transparency in Methanol |
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| pKa (Säurekonstante) | pK1:1.73 (25°C) |
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| Aggregatzustand | Powder |
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| Farbe | White to light beige |
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| BRN | 1913836 |
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| InChI | InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
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| InChIKey | QUMITRDILMWWBC-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)=CC=C(C(O)=O)C=C1[N+]([O-])=O |
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| CAS Datenbank | 610-29-7(CAS DataBase Reference) |
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| EPA chemische Informationen | 2-Nitroterephthalic acid (610-29-7) |
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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 | 29173990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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