Isocoumarin
Order Isocoumarin (CAS 491-31-6) online at Zemixal. Request a quote with price, lead time and documents. Part of our Furans, Pyrans & Coumarins range.
About Isocoumarin
Isocoumarin is part of the Zemixal furans, Pyrans & Coumarins range. For your records, the material is defined by CAS 491-31-6, formula C9H6O2 and molar mass 146.14 g/mol.
Use cases we see most often
- Organic synthesis
- API synthesis
Storage and safety notes
Classified under GHS with signal word Warning and hazard statements H302, H315, H319 and H335. Read the SDS before first use.
Available as 100 mg, 250 mg, 1 g and 5 g. Larger or split packs can be arranged. You receive a batch certificate of analysis and a 16-section SDS with each order. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.
Typical uses
- Organic synthesis
- API synthesis
Applications
Specifications and identifiers
| Product name | Isocoumarin |
|---|---|
| Catalogue number | ZX-041897 |
| CAS number | 491-31-6 |
| IUPAC name | isochromen-1-one |
| Molecular formula | C9H6O2 |
| Molar mass | 146.14 g/mol |
| Exact mass | 146.0368 |
| XLogP3 | 1.9 |
| H-bond donors / acceptors | 0 / 2 |
| Topological polar surface area | 26.3 Ų |
| InChIKey | IQZZFVDIZRWADY-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C=COC2=O |
| PubChem CID | 68108 |
| Synonyms | 1H-2-Benzopyran-1-one, 1H-isochromen-1-one, 3,4-Benzo-2-pyrone, Benzoic acid, 2-(2-hydroxyethenyl)-, delta-lactone |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 100 mg | Quoted on request | |
| 250 mg | Quoted on request | |
| 1 g | Quoted on request | |
| 5 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
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