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Diphenylisophthalat
Isophthalic ac · Diphenylm-phthalate · diphenyl-3-phthalate · Diphenyl Isophtalate · Diphenyl m-phthalate · Diphenyl-m-phthalate · DIPHENYL ISOPHTHALATE · Diphenyl 1,3-phthalate
Identifikatoren & physikalische Daten
| CAS No. | 744-45-6 |
|---|---|
| Summenformel | C20H14O4 |
| Durchschnittliche Molmasse | 318,3 g/mol |
| Monoisotopische Masse | 318,08920892 g/mol |
| SMILES | O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1 |
| InChIKey | FHESUNXRPBHDQM-UHFFFAOYSA-N |
| PubChem CID | 69779 |
| ChEMBL | CHEMBL1879622 |
| EC No. | 212-014-6 |
| DTXSID | DTXSID8037752 |
| Lokaler Name | Diphenylisophthalat |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 383 |
| Polymers | Plastics & Rubber -> Phthalate Esters |
| SpringerMaterials Properties | Chemical structure |
| Physical Description | Dry PowderWhite to off-white powder[Acros Organics MSDS] |
| Schmelzpunkt | 136-138 °C (lit.) |
| Siedepunkt | 275 °C (10 mmHg) |
| Dichte | 1,2 g/cm3 |
| Brechungsindex | 1.5400 (estimate) |
| Flammpunkt | 223 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Löslichkeit | insoluble |
| InChI | 1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H |
| InChIKey | FHESUNXRPBHDQM-UHFFFAOYSA-N |
| SMILES | O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 |
| CAS Datenbank | 744-45-6(CAS DataBase Reference) |
| NIST chemische Informationen | Diphenyl isophthalate(744-45-6) |
| EPA chemische Informationen | Diphenyl isophthalate (744-45-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.WarningH315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] See PHTHALATE ESTERS. |
| Hazard Classes and Categories | Skin Irrit. 2 (40%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29173990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Diphenyl isophthalate may be employed for the preparation of:poly(benzoxazole) (PBO) precursor, poly(o-hydroxyamide)3[4″-hydroxybenzoyl)-4′-hydroxybenzophenonepoly(o-hydroxyamide), via polycondensation of 2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane in 1-methyl-2-pyrrolidinone