4,4'-Oxydiphthalic anhydride (HCID 74574)

名称と識別子

優先名称: 4,4'-Oxydiphthalic anhydride
IUPAC: 5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
現地名: 4,4'-オキシジフタル酸無水物
英語名: 4,4'-Oxydiphthalic anhydride
分子式: C16H6O7
分子量: 310.21

名称と別名

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

名称をさらに表示

4,4'-オキシジフタル酸無水物4,4'-オキシビス(フタル酸)1,2:1',2'-二無水物4,4'-オキシジ(フタル酸)1,2:1',2'-二無水物(4,4'-オキシビスベンゼン)-1,1',2,2'-テトラカルボン酸1,2:1',2'-二無水物4,4'-オキシビス(ベンゼン-1,2-ジカルボン酸)1,2:1',2'-二無水物4,4'-オキシビスフタル酸1,2:1',2'-二無水物4,4'-オキシビスフタル酸-1,2:1',2'-二無水物4,4'-オキシジフタル酸二無水物5,5'-オキシビス[1,3-ジヒドロイソベンゾフラン-1,3-ジオン](4,4'-オキシビスフタル酸)1,2:1',2'-二無水物5,5'-オキシビス(1,3-ジヒドロイソベンゾフラン-1,3-ジオン)4,4'-オキシビス(フタル酸無水物)3,3',4,4'-ジフェニルエーテルテトラカルボン酸二無水物5,5'-オキシビス(1,3-イソベンゾフランジオン)5,5'-オキシビス(イソベンゾフラン-1,3-ジオン)4,4'-オキシビス(1,2-ベンゼンジカルボン酸)1,2:1',2'-二無水物5,5'-オキシビス[イソベンゾフラン-1,3-ジオン]5,5'-オキシビス(ベンゾ[c]フラン-1,3-ジオン)4,4’-オキシジフタル酸水物オキシジフタル酸無水物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)

データベース識別子

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

物性

構造計算による物性

XLogP: 2.2
極性表面積: 96 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 23
形式電荷: 0
複雑度: 533

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 225 · 225-229 °C(lit.)
沸点: 410.39 °C · 410.39°C (rough estimate)
比重(密度): 1.4942 · 1.4942 (rough estimate)
屈折率: 1.638 · 1.6380 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: very slightly in Toluene,Acetone
外見: powder to crystal
色: 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 データベース: 1823 · 1823-59-2(CAS DataBase Reference)
NISTの化学物質情報: Bis-(3-phthalyl anhydride) ether(1823-59-2)
EPAの化学物質情報: 1 · 1,3-Isobenzofurandione, 5,5'-oxybis- (1823-59-2)

化学的性質

化学的特性off-white to white powder

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 3 件

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 件

Not Classified

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

安全データ

wgk: 2
tsca: TSCA listed
hs_code: 29189900
risk_code: 52/53
化審法: (3)-3937
safety_code: 61
Hazard Classifications: Aquatic Chronic 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

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

応用分野

用途有機合成原料。

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

調製方法 · 1 件

製造方法The 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.