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API Process Intermediates & Related Compounds

5-Carboxyphthalide

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Buy 5-Carboxyphthalide (CAS 4792-29-4) from Zemixal. Request a quote with price, lead time and documents. Catalogue no. ZX-029326.

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5-Carboxyphthalide chemical structure
CAS number4792-29-4
FormulaC9H6O4
Molar mass178.14 g/mol
Physical formSolid
InChIKeyQTWUWCFGWYYRRL-UHFFFAOYSA-N
IUPAC name1-oxo-3H-2-benzofuran-5-carboxylic acid

About 5-Carboxyphthalide

Researchers and plant chemists source 5-Carboxyphthalide from Zemixal for routine and specialised work. Identity at a glance: CAS 4792-29-4, formula C9H6O4 and molar mass 178.14 g/mol. It is handled as a solid.

Use cases we see most often

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

Handling and storage

Hazard communication follows GHS (Warning: H302, H315, H317 and H319). Our SDS lists exposure controls and first-aid measures.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and custom quantities are quoted on request. Each lot travels with a batch certificate of analysis and a 16-section SDS. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Reference standards for Escitalopram

See every impurity, metabolite and related compound we list for this API.

Escitalopram standards

Typical uses

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

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of 5-Carboxyphthalide
Product name5-Carboxyphthalide
Catalogue numberZX-029326
CAS number4792-29-4
IUPAC name1-oxo-3H-2-benzofuran-5-carboxylic acid
Molecular formulaC9H6O4
Molar mass178.14 g/mol
Exact mass178.0266
Physical formSolid
XLogP30.3
H-bond donors / acceptors1 / 4
Topological polar surface area63.6 Ų
InChIKeyQTWUWCFGWYYRRL-UHFFFAOYSA-N
SMILESC1C2=C(C=CC(=C2)C(=O)O)C(=O)O1
PubChem CID78517
Synonyms1,3-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

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 5-Carboxyphthalide
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 5-Carboxyphthalide

Which CAS number identifies 5-Carboxyphthalide?
5-Carboxyphthalide is registered under CAS 4792-29-4. You may also see it listed 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. Our catalogue number for this item is ZX-029326.
What are the formula and molar mass of 5-Carboxyphthalide?
For 5-Carboxyphthalide, its formula is C9H6O4 and its molar mass is 178.14 g/mol. The systematic (IUPAC) name is 1-oxo-3H-2-benzofuran-5-carboxylic acid. InChIKey QTWUWCFGWYYRRL-UHFFFAOYSA-N lets you match it in any structure database.
How is 5-Carboxyphthalide used in pharmaceutical QC?
5-Carboxyphthalide is a characterised reference material linked to Escitalopram. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 5-Carboxyphthalide?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 5-Carboxyphthalide?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 5-Carboxyphthalide to my country?
Yes. Because 5-Carboxyphthalide is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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