5,5'-옥시비스-1,3-아이소벤조퓨란다이온

4,4'-Oxydiphthalic anhydride

HCID 74574CAS 1823-59-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21
InChIKey: QQGYZOYWNCKGEK-UHFFFAOYSA-N
분자식: C16H6O7
평균 분자량: 310.21 g/mol
단동위원소 질량: 310.01135253

이름 및 식별자

우선 이름: 4,4'-Oxydiphthalic anhydride
IUPAC: 5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
현지명: 5,5'-옥시비스-1,3-아이소벤조퓨란다이온
영어명: 4,4'-Oxydiphthalic anhydride
분자식: C16H6O7
분자량: 310.21

이름 및 동의어

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

이름 더 보기

4,4′-옥시디프탈산무수물5,5""-옥시비스-1,3-아이소벤조퓨란디온5,5'-옥시비스-1,3-아이소벤조퓨란다이온5,5'-옥시비스-1,3-아이소벤조퓨란디온(5,5'-OXYBIS-1,3-ISOBENZOFURANDIONE)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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 96 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 23
형식 전하: 0
복잡도: 533

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 225 · 225-229 °C(lit.)
끓는 점: 410.39 °C · 410.39°C (rough estimate)
밀도: 1.4942 · 1.4942 (rough estimate)
굴절률: 1.638 · 1.6380 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: very slightly in Toluene,Acetone
물리적 상태: powder to crystal
색상: 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
NIST: Bis-(3-phthalyl anhydride) ether(1823-59-2)
EPA: 1 · 1,3-Isobenzofurandione, 5,5'-oxybis- (1823-59-2)

화학적 성질

off-white to white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 3건

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 · 4건

Not Classified

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

안전 데이터

wgk: 2
tsca: TSCA listed
HS 번호: 29189900
risk_code: 52/53
safety_code: 61
기존화학 물질: 97-3-84
Hazard Classifications: Aquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

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

응용 분야

용도4,4'-oxydiphthalic anhydride be used for the preparation of a polyimide material.

제조 방법 · 1건

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.