5-Cyanophthalide, 97%

Name: 5-Cyanophthalide, 97%
Brand: Vaqora Chemicals
SKU: VQ-009683

About 5-Cyanophthalide, 97%

5-Cyanophthalide is a nitrile building block carrying the CAS registry number 82104-74-3 at a purity of 97%. Its molecular formula is C9H5NO2 and its molecular weight is 159.14 g/mol. Its systematic (IUPAC) name is 1-oxo-3H-2-benzofuran-5-carbonitrile. Common synonyms include 1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile and 5-Cyano-3H-isobenzofuranone.

The product is provided as a solid. Literature values give a melting point of 201-205 °C. Store in a tightly closed container in a cool, dry and well-ventilated place. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Typical applications include organic synthesis and API synthesis. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 5 g, 25 g and 100 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	5-Cyanophthalide, 97%
Catalogue No.	VQ-009683
CAS Number	82104-74-3
IUPAC name	1-oxo-3H-2-benzofuran-5-carbonitrile
Molecular formula	C₉H₅NO₂
Molecular weight	159.14 g/mol
Exact mass	159.032
Purity / assay	97%
HSN code	28439019
InChIKey	XEEGWTLAFIZLSF-UHFFFAOYSA-N
SMILES	C1C2=C(C=CC(=C2)C#N)C(=O)O1
PubChem CID	821218

Physical properties
Physical form	Solid
Appearance	Solid
Melting point	201-205 °C
LogP (XLogP3)	0.5
H-bond donors / acceptors	0 / 3
TPSA	50.1 Å²
Synonyms	1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 5-Cyano-3H-isobenzofuranone, 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile, 1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile, 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile, 5-Cyanophthalide, 97%, 5-cyano phthalide, 5-Cyanophthalid, 1-oxo-3H-isobenzofuran-5-carbonitrile, 1-oxo-3-hydroisobenzofuran-5-carbonitrile

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled

Precautionary statements: P261, P264, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P317, P321, P330, P362 + P364, 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-Cyanophthalide, 97%?

The CAS Registry Number of 5-Cyanophthalide, 97% is 82104-74-3. It is also known as 1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 5-Cyano-3H-isobenzofuranone, 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile.

What is the molecular formula and molecular weight of 5-Cyanophthalide, 97%?

5-Cyanophthalide, 97% has the molecular formula C9H5NO2 and a molecular weight of 159.14 g/mol. Its IUPAC name is 1-oxo-3H-2-benzofuran-5-carbonitrile.

Which grade and pack sizes of 5-Cyanophthalide, 97% can I order?

We supply 5-Cyanophthalide, 97% in (97%) grade, in 5 g, 25 g, 100 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 5-Cyanophthalide, 97%?

Yes. Every lot of 5-Cyanophthalide, 97% 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-Cyanophthalide, 97% be shipped internationally?

Yes. 5-Cyanophthalide, 97% 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.