5-Carboxyphthalide

Name: 5-Carboxyphthalide
Brand: Vaqora Chemicals
SKU: VQ-030551

About 5-Carboxyphthalide

Vaqora Chemicals supplies 5-Carboxyphthalide, a process intermediate or related compound of Escitalopram registered under CAS number 4792-29-4. The compound has the formula C9H6O4, corresponding to a molecular weight of 178.14 g/mol. The IUPAC name is 1-oxo-3H-2-benzofuran-5-carboxylic acid. Common synonyms include Phthalide-5-carboxylic acid and 5-Phthalancarboxylic acid, 1-oxo-.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Process chemists and analysts use it when developing synthetic routes to Escitalopram, tracking process-related impurities and validating analytical methods. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

We offer 5-Carboxyphthalide in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development
Fine chemical synthesis

Industries

Related to Escitalopram

View every impurity, metabolite and intermediate we list for Escitalopram.

Escitalopram impurities

Specifications & identifiers

Chemical identifiers
Product name	5-Carboxyphthalide
Catalogue No.	VQ-030551
CAS Number	4792-29-4
IUPAC name	1-oxo-3H-2-benzofuran-5-carboxylic acid
Molecular formula	C₉H₆O₄
Molecular weight	178.14 g/mol
Exact mass	178.0266
InChIKey	QTWUWCFGWYYRRL-UHFFFAOYSA-N
SMILES	C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1
PubChem CID	78517

Physical properties
Physical form	Solid
LogP (XLogP3)	0.3
H-bond donors / acceptors	1 / 4
TPSA	63.6 Å²
Synonyms	1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid, 1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid, 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid, 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, 5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, Phthalide-5-carboxylic acid, 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylicacid, 5-Phthalancarboxylic acid, 1-oxo-, 5Carboxyphthalid, 5-Carboxyphthalid, 5-carboxyphthalide, AldrichCPR

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P272, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P333 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 5-Carboxyphthalide?

The CAS Registry Number of 5-Carboxyphthalide is 4792-29-4. It is also known as 1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid, 1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid, 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid.

What is the molecular formula and molecular weight of 5-Carboxyphthalide?

5-Carboxyphthalide has the molecular formula C9H6O4 and a molecular weight of 178.14 g/mol. Its IUPAC name is 1-oxo-3H-2-benzofuran-5-carboxylic acid.

What is 5-Carboxyphthalide used for?

5-Carboxyphthalide is supplied as a characterised reference material related to Escitalopram. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 5-Carboxyphthalide can I order?

We supply 5-Carboxyphthalide, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 5-Carboxyphthalide?

Yes. Every lot of 5-Carboxyphthalide is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 5-Carboxyphthalide be shipped internationally?

Yes. 5-Carboxyphthalide is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.