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5-Carboxyphthalide - 98%, high purity , CAS No.4792-29-4

COA

Grade & Purity:

≥98%

Cas Number: 4792-29-4
Molecular Weight: 178.1
PubChem CID: 78517
PubChem SID: 488185588

In stock

Item Number

C184704

Grouped product items
SKU	Size	Availability	Price
C184704-1g	1g	5	$130.90
C184704-5g	5g	2	$321.90
C184704-25g	25g	3	$1,444.90

Discover 5-Carboxyphthalide by Aladdin Scientific in 98% for only $130.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	F12521 \| 5H-Dibenz[b,f]azepine, 10-methoxy- \| 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylicacid \| SCHEMBL1407977 \| Phthalide-5-carboxylic acid \| DTXSID00197348 \| 6-nitrobenzoxazolinone \| 5-Phthalancarboxylic acid, 1-oxo- \| 5-Carboxyphthalide \| A827391 \| NSC
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 P-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	P-phthalic acid and derivatives
Alternative Parents	Phthalides Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Para_phthalic_acid - Phthalide - Isobenzofuranone - Isocoumaran - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
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	488185588
IUPAC Name	1-oxo-3H-2-benzofuran-5-carboxylic acid
INCHI	InChI=1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)
InChIKey	QTWUWCFGWYYRRL-UHFFFAOYSA-N
Smiles	C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1
Isomeric SMILES	C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1
Molecular Weight	178.1
Reaxy-Rn	139812
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139812&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E23291450	Certificate of Analysis	Jun 06, 2023	C184704
E23291409	Certificate of Analysis	Jun 06, 2023	C184704
E23291454	Certificate of Analysis	Jun 06, 2023	C184704
E23291416	Certificate of Analysis	Jun 06, 2023	C184704
E23291417	Certificate of Analysis	Jun 06, 2023	C184704
B2322104	Certificate of Analysis	Dec 12, 2022	C184704
B2322043	Certificate of Analysis	Dec 12, 2022	C184704
B2322037	Certificate of Analysis	Dec 12, 2022	C184704

Chemical and Physical Properties

Molecular Weight	178.140 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.027 Da
Monoisotopic Mass	178.027 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	248.000
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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