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4-Chlorphthalsure
4-Chlorophthalicaci · P-CHLOROPHTHALIC ACID · 4-CHLOROPHTHALIC ACID · 4-chloro-o-phthalic acid · 4-Chloro-1,2-benzenedicarboxylic acid · 1,2-Benzenedicarboxylic acid, 4-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 89-20-3 |
|---|---|
| Summenformel | C8H5ClO4 |
| Durchschnittliche Molmasse | 200,57 g/mol |
| Monoisotopische Masse | 199,98763632 g/mol |
| SMILES | O=C(O)c1ccc(Cl)cc1C(=O)O |
| InChIKey | DVIPPHSQIBKWSA-UHFFFAOYSA-N |
| PubChem CID | 6964 |
| EC No. | 201-886-3 |
| DTXSID | DTXSID2045022 |
| Lokaler Name | 4-Chlorphthalsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 228 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Collision Cross Section | 132.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0044442] |
| Schmelzpunkt | 157 °C |
| Siedepunkt | 399.5±27.0 °C(Predicted) |
| Dichte | 1.586±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.88±0.10(Predicted) |
| CAS Datenbank | 89-20-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2-Benzenedicarboxylic acid, 4-chloro- (89-20-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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 2 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-Benzenedicarboxylic acid, 4-chloro- |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Beschreibung
4-Chlorophthalic acid is converted into biphenyltetracarboxylic acid by dehalogenation and quantitative reaction, and this compound is useful in industry as a raw material for, for example, heat-resistant resins and resin plasticizers. A known method for producing 4-chlorophthalic acid is, for example, a method of chlorinating phthalic acid in an aqueous medium in the presence of caustic alkali. A common method is to use a caustic alkali aqueous solution in which chlorine is dissolved as a bed solution. Chlorine gas is supplied to react.