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

HCID 94483
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
38103-06-9
Standard SMILES
CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1
InChIKey
MQAHXEQUBNDFGI-UHFFFAOYSA-N
Molecular formula
C31H20O8
Average molar mass
520.5 g/mol
Monoisotopic mass
520.1158176

Names & identifiers

Preferred 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
English name
4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride
Molecular formula
C31H20O8
Molecular weight
520.49

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
39

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionOther Solid

Physicochemical properties

Melting point
184 · 184-187 °C(lit.)
Boiling point
712.3 · 712.3±60.0 °C(Predicted)
Density
1.406 · 1.406±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 25℃
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 2 items

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

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
NP7227500
hs_code
29189900
risk_code
36/37/38-42

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 14,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

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

Applications · 2 items

Description4,4'-(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).

Uses4,4'-(4,4'-Isopropylidenediphenoxy)bis(phthalic anhydride) be used for the preparation of a polyimide material.

Preparation methods · 1 item

Preparation4,4'-(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).

Upstream & downstream products

Suppliers100 total

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]

Related reactions

2 records
New reaction record

Compound notes

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