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3,4,5,6-Tetrahydrophthalic anhydride - 95%, high purity , CAS No.2426-02-0

4 Citations

COA

Grade & Purity:

≥95%

Cas Number: 2426-02-0
Molecular Weight: 152.15
Beilstein Registry Number: 136335
EC Number: 219-374-3
MDL number: MFCD00005917
PubChem CID: 12475

In stock

Item Number

T141353

Grouped product items
SKU	Size	Availability	Price
T141353-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$35.90
T141353-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$59.90
T141353-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$164.90
T141353-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$573.90

Basic Description

Synonyms	3,4,5,6-Tetrahydrophthalic anhydride \| 2426-02-0 \| 4,5,6,7-tetrahydroisobenzofuran-1,3-dione \| 1-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE \| 4,5,6,7-Tetrahydro-2-benzofuran-1,3-dione \| 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro- \| Cyclohexene-1,2-dicarboxylic anhydride \|
Specifications & Purity	≥95%
Storage Temp	Argon charged,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isobenzofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isobenzofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isobenzofurans
Alternative Parents	Dicarboxylic acids and derivatives Butenolides Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isobenzofuran - Dicarboxylic acid or derivatives - 2-furanone - Dihydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
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	4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
INCHI	InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
InChIKey	HMMBJOWWRLZEMI-UHFFFAOYSA-N
Smiles	C1CCC2=C(C1)C(=O)OC2=O
Isomeric SMILES	C1CCC2=C(C1)C(=O)OC2=O
PubChem CID	12475
UN Number	2698
Packing Group	III
Molecular Weight	152.15
Beilstein	136335

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
J1619034	Certificate of Analysis	Jun 12, 2024	T141353
F2307307	Certificate of Analysis	Jul 29, 2022	T141353
J2211293	Certificate of Analysis	Jul 29, 2022	T141353
J2211236	Certificate of Analysis	Jul 29, 2022	T141353
J2211237	Certificate of Analysis	Jul 29, 2022	T141353
B2303935	Certificate of Analysis	Jul 29, 2022	T141353
J2211233	Certificate of Analysis	Jul 29, 2022	T141353
J2211356	Certificate of Analysis	Jul 29, 2022	T141353

Chemical and Physical Properties

Solubility	Reacts with water
Sensitivity	Moisture sensitive
Melt Point(°C)	70-74℃
Molecular Weight	152.150 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	152.047 Da
Monoisotopic Mass	152.047 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	237.000
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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