4,4'-Oxydiphthalic anhydride (HCID 74574)

Namen und Bezeichner

Bevorzugter Name: 4,4'-Oxydiphthalic anhydride
IUPAC: 5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
Englischer Name: 4,4'-Oxydiphthalic anhydride
Summenformel: C16H6O7
Molmasse: 310.21

Namen und Synonyme

1823-59-24,4'-Oxydiphthalic anhydride1,3-Isobenzofurandione, 5,5'-oxybis-4,4'-Oxydiphthalic dianhydride5,5'-Oxybis(2-benzofuran-1,3-dione)DTXSID1044859G58E17X7VEDTXCID90248594,4'-oxybis(phthalic anhydride)EC 412-830-44,4'-oxydiphthalic acid dianhydride3,3',4,4'-DIPHENYL OXIDE TETRACARBOXYLIC DIANHYDRIDE

Weitere Namen anzeigen

ODPAs-ODPA4,4'-Oxydiphthalic Acid4,4-Oxydiphthalic anhydrideFCKBIS-(3-PHTHALYL ANHYDRIDE) ETHERFFCFBis-(3-phthalyl anhy

BIS(3,4-DICARBOXYPHENYL)ETHER DIANHYDRIDE3,3',4,4'-diphenyl ether tetracarboxylic anhydride3,3',4,4'-DIPHENYLOXYTETRACARBOXYLIC DIANHYDRIDE3,3',4,4'-DIPHENYL ETHER TETRACARBOXYLIC ACID DIANHYDRIDERefChem:506877412-830-4629-094-75,5'-Oxybis(isobenzofuran-1,3-dione)

Datenbank-Bezeichner

CAS: 1823-59-2
PubChem CID: 74574
DTXSID: DTXSID1044859
ChEMBL: CHEMBL1243052
UNII: G58E17X7VE
EC Number: 412-830-4、629-094-7
Nikkaji: J94.798I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 96 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 23
Formalladung: 0
Komplexität: 533

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 225 · 225-229 °C(lit.)
Siedepunkt: 410.39 °C · 410.39°C (rough estimate)
Dichte: 1.4942 · 1.4942 (rough estimate)
Brechungsindex: 1.638 · 1.6380 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: very slightly in Toluene,Acetone
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H
InChIKey: QQGYZOYWNCKGEK-UHFFFAOYSA-N
SMILES: O(C1C=CC2C(=O)OC(=O)C=2C=1)C1C=CC2C(=O)OC(=O)C=2C=1
CAS Datenbank: 1823 · 1823-59-2(CAS DataBase Reference)
NIST chemische Informationen: Bis-(3-phthalyl anhydride) ether(1823-59-2)
EPA chemische Informationen: 1 · 1,3-Isobenzofurandione, 5,5'-oxybis- (1823-59-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 92% (104 of 113) of all reports.

Not Classified

Aggregated GHS information provided per 113 reports by companies from 3 notifications to the ECHA C&L Inventory.

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Gefahrenhinweise

Regulatory Information · 3 Einträge

1,3-Isobenzofurandione, 5,5'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, 5,5'-oxybis- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24117

Hazard Classes and Categories · 4 Einträge

Not Classified

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29189900
risk_code: 52/53
safety_code: 61
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

General Manufacturing Information1,3-Isobenzofurandione, 5,5'-oxybis-: ACTIVE

Anwendungen

Verwenden4,4'-oxydiphthalic anhydride be used for the preparation of a polyimide material.

Darstellung · 1 Eintrag

synthetischeThe preparation of 4,4'-Oxydiphthalic anhydride is as follows:Chlorophthalic anhydride (30g, 160mmol), tetraphenyl phosphonium bromide (0.3g, 0.7mmol), and 2,5-dichlorobenzoic acid (0.08g, 0.4mmol) were heated to approximately 220℃. Potassium carbonate (7.95g, 58mmol) was added over 45 minutes. The reaction was sampled after addition of the potassium carbonate and showed a 24.9% conversion to 4,4'-oxydiphthalic anhydride. The reaction was heated for an additional 45 minutes. The reaction mixture was diluted with 1,2,4-trichlorobenzene (90g) and filtered. The 4,4'-oxydiphthalic anhydride was allowed to crystallize and was collected, washed with 1,2,4-trichlorobenzene followed by hexane, and dried in an air circulating oven at 120℃. to give crude 4,4'-oxydiphthalic anhydride, 12.9g.