Isocoumarin

Name: Isocoumarin
Brand: Vaqora Chemicals
SKU: VQ-052011

About Isocoumarin

Listed under CAS 491-31-6, Isocoumarin is an oxygen heterocycle available from Vaqora Chemicals. The compound has the formula C9H6O2, corresponding to a molecular weight of 146.14 g/mol. Its systematic (IUPAC) name is isochromen-1-one. Common synonyms include 1H-2-Benzopyran-1-one and 1H-isochromen-1-one.

Store sealed in a dry, well-ventilated location away from incompatible materials. It carries the GHS signal word “Warning” with 4 hazard statements. Review the Safety Data Sheet before use.

It is commonly used for organic synthesis and API synthesis. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Available in 100 mg, 250 mg, 1 g and 5 g packs, Isocoumarin is dispatched with a Certificate of Analysis (COA) to destinations worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Isocoumarin
Catalogue No.	VQ-052011
CAS Number	491-31-6
IUPAC name	isochromen-1-one
Molecular formula	C₉H₆O₂
Molecular weight	146.14 g/mol
Exact mass	146.0368
InChIKey	IQZZFVDIZRWADY-UHFFFAOYSA-N
SMILES	C1=CC=C2C(=C1)C=COC2=O
PubChem CID	68108

Physical properties
Physical form	Other
LogP (XLogP3)	1.9
H-bond donors / acceptors	0 / 2
TPSA	26.3 Å²

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + 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 Isocoumarin?

The CAS Registry Number of Isocoumarin is 491-31-6. It is also known as 1H-2-Benzopyran-1-one, 1H-isochromen-1-one, 3,4-Benzo-2-pyrone.

What is the molecular formula and molecular weight of Isocoumarin?

Isocoumarin has the molecular formula C9H6O2 and a molecular weight of 146.14 g/mol. Its IUPAC name is isochromen-1-one.

Which grade and pack sizes of Isocoumarin can I order?

We supply Isocoumarin, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Isocoumarin?

Yes. Every lot of Isocoumarin 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 Isocoumarin be shipped internationally?

Yes. Isocoumarin 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.