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Benzol-1,2,3-tricarbonsure
BENZENE-1,2,3-TRICARBOXYLIC ACID · HEMIMELLITIC ACID · 1,2,3-benzene Acid · Hemimelliticacid,96% · 1,2,3-TRIBENZOIC ACID · 1,2,3-Tricarboxybenzene · 1,2,3-benzenetrimacetic acid · Benzene-1,2,3-tricarboxylicaci
Identifikatoren & physikalische Daten
| CAS No. | 569-51-7 |
|---|---|
| Summenformel | C9H6O6 |
| Durchschnittliche Molmasse | 210,14 g/mol |
| Monoisotopische Masse | 210,01643791 g/mol |
| SMILES | O=C(O)c1cccc(C(=O)O)c1C(=O)O |
| InChIKey | UJMDYLWCYJJYMO-UHFFFAOYSA-N |
| PubChem CID | 11288 |
| ChEMBL | CHEMBL1161013 |
| EC No. | 209-317-0 |
| DTXSID | DTXSID901018142 |
| Lokaler Name | Benzol-1,2,3-tricarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 112 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 275 |
| Stoffklassen | Other Classes -> Benzoic Acid Derivatives |
| Dampfdruck | 0.00000003 [mmHg] |
| Physical Description | White to almost white crystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | ~195 °C (dec.) |
| Siedepunkt | 309.65°C (rough estimate) |
| Dichte | 1.5460 |
| Brechungsindex | 1.6630 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | pK1: 2.88pK2: 4.75pK3: 7.13 (25°C) |
| Farbe | White to Almost white |
| Löslichkeit | 30.6g/L(19 ºC) |
| BRN | 2214816 |
| CAS Datenbank | 569-51-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2,3-Benzenetricarboxylic acid(569-51-7) |
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2917399590 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
Anwendungen & Verwendung
Verwenden
1,2,3-Benzenetricarboxylic acid can be used as an intermediate for material crystal.