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5,6-Dimethoxyisobenzofuran-1,3-dione - 98%, high purity , CAS No.4821-94-7

COA

Grade & Purity:

≥98%

Cas Number: 4821-94-7
Molecular Weight: 208.17
EC Number: ‘867-891-3
PubChem CID: 610356
PubChem SID: 504759529

In stock

Item Number

D589234

Grouped product items
SKU	Size	Availability	Price
D589234-100mg	100mg	2	$49.90
D589234-250mg	250mg	2	$101.90
D589234-1g	1g	1	$335.90

Basic Description

Synonyms	EN300-299726 \| SCHEMBL2928543 \| 4,5-dimethoxyphthalic anhydride \| 4,5-dimethoxy-phthalic anhydride \| 5,6-dimethoxyisobenzofuran-1,3-dione \| MFCD27924322 \| 4,5-dimethoxyphthalic acid anhydride \| 5,6-Dimethoxy-2-benzofuran-1,3-dione \| AMY9072 \| m-Hemipic an
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,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	Isobenzofuranones Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Anisole - Alkyl aryl ether - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Carboxylic acid derivative - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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

Pubchem Sid	504759529
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759529
IUPAC Name	5,6-dimethoxy-2-benzofuran-1,3-dione
INCHI	InChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3
InChIKey	IMSDRBDUANUSRL-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)C(=O)OC2=O)OC
Isomeric SMILES	COC1=C(C=C2C(=C1)C(=O)OC2=O)OC
Molecular Weight	208.17
Reaxy-Rn	170326
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170326&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2327772	Certificate of Analysis	Sep 25, 2023	D589234
J2327767	Certificate of Analysis	Sep 25, 2023	D589234
J2327768	Certificate of Analysis	Sep 25, 2023	D589234
J2327766	Certificate of Analysis	Sep 25, 2023	D589234
J2327762	Certificate of Analysis	Sep 25, 2023	D589234
J2327769	Certificate of Analysis	Sep 25, 2023	D589234

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	208.170 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	208.037 Da
Monoisotopic Mass	208.037 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	260.000
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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