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Benzol-1,2,4,5-tetracarbonsure
1,2,4,5-BENZENETETRACARBOXYLIC ACID · BENZENE-1,2,4,5-TETRACARBOXYLIC ACID · 1,2,4,5-BenzenetetracarboxyL · 1,2,4,5-Benzenetetracarboxylic acid, 96% 5GR · usafxr-20 · USAF xr-20 · AKOS AUF2102 · pyromelliticaci
Identifikatoren & physikalische Daten
| CAS No. | 89-05-4 |
|---|---|
| Summenformel | C10H6O8 |
| Durchschnittliche Molmasse | 254,15 g/mol |
| Monoisotopische Masse | 254,00626715 g/mol |
| SMILES | O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O |
| InChIKey | CYIDZMCFTVVTJO-UHFFFAOYSA-N |
| PubChem CID | 6961 |
| ChEMBL | CHEMBL1235346 |
| ChEBI | CHEBI:45165 |
| EC No. | 201-879-5 |
| DTXSID | DTXSID8044466 |
| Lokaler Name | Benzol-1,2,4,5-tetracarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 149 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 327 |
| Stoffklassen | Other Classes -> Organic Acids |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dichte | 1.79 @25 °C0,56 g/cm3 |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Dissociation Constants | 1.87 (at 25 °C) |
| Schmelzpunkt | 281-284.5 °C(lit.) |
| Siedepunkt | 317.36°C (rough estimate) |
| Brechungsindex | 1.7010 (estimate) |
| Flammpunkt | 325 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.1 M NaOH: 0.2 M, clear, faintly yellow1.5 g/100 mL (20 ºC) |
| pKa (Säurekonstante) | pK1: 1.92pK2: 2.87pK3: 4.49pK4: 5.63 (25°C) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to very slightly yellow |
| Merck | 14,8004 |
| Henry-Konstante | 1.6×1013 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18) |
| InChIKey | CYIDZMCFTVVTJO-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O |
| LogP (Verteilungskoeffizient) | 0.15 at 25℃ |
| CAS Datenbank | 89-05-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2,4,5-Benzene-tetracarboxylic acid(89-05-4) |
| EPA chemische Informationen | 1,2,4,5-Benzenetetracarboxylic acid (89-05-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 53.3% (128 of 240) of all reports.WarningH315 (21.2%): 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 240 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: 1,2,4,5-Benzenetetracarboxylic acidStatus: Cease Manufacture Update: 28-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/128391,2,4,5-Benzenetetracarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 300 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (21.2%) |
| Protective Action Criteria (PAC) | 0.98 [mg/m3]11 [mg/m3]65 [mg/m3] |
| F | 34 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29173980 |
| RTECS-Nr. | DB9275000 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Pyromellitic acid (PMA) is mainly used as intermediate for powder coating. Product Data Sheet