4,4′-(4,4′-이소프로필리덴디페녹시)비스(무수 프탈산)

2,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride

HCID 94483

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38103-06-9
표준 SMILES: CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1
InChIKey: MQAHXEQUBNDFGI-UHFFFAOYSA-N
분자식: C31H20O8
평균 분자량: 520.5 g/mol
단동위원소 질량: 520.1158176

이름 및 식별자

우선 이름: 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
현지명: 4,4′-(4,4′-이소프로필리덴디페녹시)비스(무수 프탈산)
영어명: 4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride
분자식: C31H20O8
분자량: 520.49

이름 및 동의어

38103-06-92,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydrideBisphenol A dianhydrideAX6B5HRE2HEINECS 253-781-71,3-Isobenzofurandione, 5,5'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis-4,4'-[(isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride4,4'-((Isopropylidene)bis(p-phenyleneoxy))diphthalic dianhydrideEC 253-781-71,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-4,4'-(4,4'-ISOPROPYLIDENEDIPHENOXYBIS(PHTHALIC ANHYDRIDE)4,4'-(ISOPROPYLIDENEBIS(P-PHENYLENEOXY))DIPHTHALIC ANHYDRIDE

이름 더 보기

4,4′-(4,4′-이소프로필리덴디페녹시)비스(무수프탈산)4,4'-(4,4'-ISOPROPYLIDENEDIPHENOXY)BIS(프탈산무수물)BPADA4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydridetrione"BPADA 38103-06-9ULTEM DIANHYDRIDE4,4'-BISPHENOL A DIANHYDRIDEBisphenol A ether dianhydrideBisphenol A diether dianhydride

4,4'-(4,4'-ISOPROPYLIDENEDI(P-PHENYLENEOXY))BIS(PHTHALIC ANHYDRIDE)2,2-Bis[4-(3,4-dicarboxyphenoxy)phenyl]propane dianhydrideRefChem:4408315,5'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(isobenzofuran-1,3-dione)4,4'-(4,4'-Isopropylidenediphenoxy)bis(phthalic anhydride)5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dioneMFCD00319167C31H20O8

데이터베이스 식별자

CAS: 38103-06-9
PubChem CID: 94483
DTXSID: DTXSID3028001
ChEMBL: CHEMBL3560133
UNII: AX6B5HRE2H
EC Number: 253-781-7
Nikkaji: J294.591F

물성

구조 계산 물성

XLogP: 6.5
극성 표면적: 105 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 39
형식 전하: 0
복잡도: 897

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physical DescriptionOther Solid

물리화학적 성질

녹는점: 184 · 184-187 °C(lit.)
끓는 점: 712.3 · 712.3±60.0 °C(Predicted)
밀도: 1.406 · 1.406±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
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: 1 · 1,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- (38103-06-9)

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 2건

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

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NP7227500
HS 번호: 29189900
risk_code: 36/37/38-42
hazard_code: Xi
safety_code: 26-36
기존화학 물질: 2005-3-3424
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 14,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

1,3-Isobenzofurandione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-: ACTIVE

응용 분야 · 2건

개요4,4'-(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).

용도4,4'-(4,4'-Isopropylidenediphenoxy)bis(phthalic anhydride) be used for the preparation of a polyimide material.

제조 방법 · 1건

4,4'-(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).

상·하류 제품 정보

상류 원료

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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