HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 228086Erstellt: 27. Oktober 2026
2-Methylterephthalic acid
DK7272 · 0/4/56 · Nsc20693 · Fluralaner-025 · Fluralaner Impurity 46 · Methylterephthalic acid · 5-Methylterephthalic acid · 2-Methylterephthalic 2-methylterephthalic acid
https://huagongshe.com/de/chemical/228086
Identifikatoren & physikalische Daten
| CAS No. | 5156-01-4 |
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| Summenformel | C9H8O4 |
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| Durchschnittliche Molmasse | 180,16 g/mol |
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| Monoisotopische Masse | 180,04225874 g/mol |
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| SMILES | Cc1cc(C(=O)O)ccc1C(=O)O |
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| InChIKey | UFMBOFGKHIXOTA-UHFFFAOYSA-N |
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| PubChem CID | 228086 |
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| EC No. | 805-933-4 |
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| DTXSID | DTXSID30281188 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 224 |
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| Schmelzpunkt | 323-325 °C |
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| Siedepunkt | 388.2±30.0 °C(Predicted) |
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| Dichte | 1.377 |
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| Flammpunkt | 202.8℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 3.38±0.25(Predicted) |
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| InChI | InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
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| InChIKey | UFMBOFGKHIXOTA-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)=CC=C(C(O)=O)C=C1C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (90.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 31 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 | Acute Tox. 4 (96.8%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29173990 |
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| Lagerklasse | 11 - Combustible Solids |
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