HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hexahydrophthalsure
HEXAHYDROPHTHALIC ACID · NSC 239117 · AURORA 4806 · AKOS BBS-00007758 · Lurasidone Impurity 48 · 1,2-Cyclohexanedioic acid · RSYY(Vorapaxar Sulfatet)-52 · 1,2-CYCLOHEXANEDICARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 1687-30-5 |
|---|---|
| Summenformel | C8H12O4 |
| Durchschnittliche Molmasse | 172,18 g/mol |
| Monoisotopische Masse | 172,07355886 g/mol |
| SMILES | O=C(O)C1CCCCC1C(=O)O |
| InChIKey | QSAWQNUELGIYBC-UHFFFAOYSA-N |
| PubChem CID | 15522 |
| EC No. | 216-872-2 |
| DTXSID | DTXSID60875751 |
| Lokaler Name | Hexahydrophthalsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 177 |
| Stoffklassen | Other Classes -> Organic Acids |
| Schmelzpunkt | 219-220℃ |
| Siedepunkt | 384.1±35.0 °C(Predicted) |
| Dichte | 1.314±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.18±0.28(Predicted) |
| Farbe | White to Off-White |
| CAS Datenbank | 1687-30-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2-Cyclohexanedicarboxylic acid (1687-30-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Cyclohexanedicarboxylic acid |
| Gefahrenübersicht | See Hexahydrophthalic anhydride. |
| Hazard Classes and Categories | Acute Tox. 4 (87.5%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
cis-1,2 cyclohexanedicarboxylic acid has been used to construct coordination polymers of various dimensions (0-d, 1-D, 2-D to 3-D). Some of these exhibit photoluminescence and catalytic activity