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5，5'-(1，4-Phenylenebis(oxy))bis(isobenzofuran-1，3-dione) - ≥95%, high purity , CAS No.17828-53-4

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 17828-53-4
Molecular Weight: 402.3
MDL number: MFCD00346722
PubChem CID: 14549436

In stock

Item Number

B768570

Grouped product items
SKU	Size	Availability	Price
B768570-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
B768570-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$187.90
B768570-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$683.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Phthalic anhydrides
Alternative Parents	Diarylethers Isobenzofuranones Phenoxy compounds Phenol ethers Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Diaryl ether - Phthalic_anhydride - Phthalic anhydride - Isobenzofuranone - Isocoumaran - Phenol ether - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Carboxylic acid anhydride - Oxacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
INCHI	InChI=1S/C22H10O8/c23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24/h1-10H
InChIKey	BBTGUNMUUYNPLH-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1OC2=CC3=C(C=C2)C(=O)OC3=O)OC4=CC5=C(C=C4)C(=O)OC5=O
Isomeric SMILES	C1=CC(=CC=C1OC2=CC3=C(C=C2)C(=O)OC3=O)OC4=CC5=C(C=C4)C(=O)OC5=O
PubChem CID	14549436
Molecular Weight	402.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	402.300 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	402.038 Da
Monoisotopic Mass	402.038 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	677.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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