Grundinformationen
- Standard-SMILES
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1- InChIKey
MQAHXEQUBNDFGI-UHFFFAOYSA-N- Summenformel
- C31H20O8
- Durchschnittliche Molmasse
- 520,5 g/mol
- Monoisotopische Masse
- 520,1158176
Namen und Bezeichner
- Bevorzugter Name
- 2,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride
- IUPAC
- 5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
- Lokaler Name
- 4,4'-[(Isopropyliden)bis(p-phenylenoxy)]diphthaldisureanhydrid
- Englischer Name
- 4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride
- Summenformel
- C31H20O8
- Molmasse
- 520.49
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
38103-06-9- PubChem CID
- 94483
- DTXSID
DTXSID3028001- ChEMBL
CHEMBL3560133- UNII
- AX6B5HRE2H
- EC Number
- 253-781-7
- Nikkaji
- J294.591F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,5
- Polarare Oberfläche (TPSA)
- 105 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 39
- Formalladung
- 0
- Komplexität
- 897
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 184 · 184-187 °C(lit.)
- Siedepunkt
- 712.3 · 712.3±60.0 °C(Predicted)
- Dichte
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3
- InChIKey
- MQAHXEQUBNDFGI-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OC2C=CC3C(=O)OC(=O)C=3C=2)C=C1)(C1=CC=C(OC2C=CC3C(=O)OC(=O)C=3C=2)C=C1)(C)C
- LogP
- -2.22 at · -2.22 at 21℃
- EPA chemische Informationen
- 1 · 1,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- (38103-06-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.7% (43 of 44) of all reports.
Not Classified
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
1,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- 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)
Status: Active Update: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1877
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- RTECS-Nr.
- NP7227500
- risk_code
- 36/37/38-42
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-: ACTIVE
Anwendungen
Beschreibung4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride (BPADA) is a diphthalic anhydride structural unit with a core of bisphenol A. BPADA is a precursor for the synthesis of polyimides, which are highly thermally stable and have strong mechanical properties using their bisphenol A core. Polyimide films synthesised from this molecule are incompletely conjugated and therefore have high optical transparency. With their isometric stretchability and high glass transition temperature (Tg = 207 °C), these films are ideal for flexible display substrates. In addition to their high heat resistance, the polyimides are chemically inert and can be used as ion transport membranes in fuel cells.BPADA can also be used to make aerogels that are superhydrophobic (Lotus effect).
Verwenden4,4'-(4,4'-Isopropylidenediphenoxy)bis(phthalic anhydride) be used for the preparation of a polyimide material.
Darstellung
synthetische4,4'-(4,4'-isopropylidenediphenoxy)bis(phthalic anhydride) can be synthesized from 4-chlorophthalic anhydride and bisphenol A. Mainly includes the following steps:(1) Chlorophenyl anhydride imide, synthesis of N-Phenyltetrachlorophthalimide;(2) the synthesis of bisphenol A disodium salt;(3) Nucleophilic substitution reaction in dipolar nonproton solvent;(4) hydrolysis to bisphenol A diether tetraic acid;(5) dehydration to 4,4'-(4,4'-isopropylidenediphenoxy)bis(phthalic anhydride).
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