HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 83739Erstellt: 25. Oktober 2026
2,5-Dichlorterephthalsure
TIMTEC-BB SBB008522 · RARECHEM AL BO 0524 · 2,5-DICHLOROTEREPHTH · 2,5-dichloroterephthalic · Dichloroterephthalicacid · 2,5-Dichlorterephthalsure · Thioctic Acid Impurity 69 · 2,5-Dichloroterephthalc acid
https://huagongshe.com/de/chemical/83739
Identifikatoren & physikalische Daten
| CAS No. | 13799-90-1 |
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| Summenformel | C8H4Cl2O4 |
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| Durchschnittliche Molmasse | 235,02 g/mol |
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| Monoisotopische Masse | 233,94866397 g/mol |
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| SMILES | O=C(O)c1cc(Cl)c(C(=O)O)cc1Cl |
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| InChIKey | LMOSYFZLPBHEOW-UHFFFAOYSA-N |
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| PubChem CID | 83739 |
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| EC No. | 237-454-6 |
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| DTXSID | DTXSID3074733 |
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| Lokaler Name | 2,5-Dichlorterephthalsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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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 | 14 |
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| Formalladung | 0 |
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| Komplexität | 230 |
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| Schmelzpunkt | 306°C |
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| Siedepunkt | 335.73°C (rough estimate) |
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| Dichte | 1.5801 (rough estimate) |
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| Brechungsindex | 1.4800 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | very faint turbidity in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 1.72±0.25(Predicted) |
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| Farbe | White to Almost white |
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| InChI | InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14) |
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| InChIKey | LMOSYFZLPBHEOW-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)=CC(Cl)=C(C(O)=O)C=C1Cl |
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| CAS Datenbank | 13799-90-1(CAS DataBase Reference) |
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| EPA chemische Informationen | 1,4-Benzenedicarboxylic acid, 2,5-dichloro- (13799-90-1) |
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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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29173619 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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