Methyl isocyanoacetate
Order Methyl isocyanoacetate (CAS 39687-95-1) online at Zemixal: C4H5NO2, COA and SDS with every lot, worldwide shipping.
About Methyl isocyanoacetate
Methyl isocyanoacetate is part of the Zemixal nitriles & Cyanides range. Key data (Reference Standard): CAS 39687-95-1, formula C4H5NO2 and molar mass 99.09 g/mol.
Common uses in the lab and plant
- Organic synthesis
- API synthesis
Handling and storage
It carries the GHS signal word Danger (H302, H312, H314 and H331), so wear gloves and eye protection and work with good ventilation.
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. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Typical uses
- Organic synthesis
- API synthesis
Applications
Specifications and identifiers
| Product name | Methyl isocyanoacetate |
|---|---|
| Catalogue number | ZX-008775 |
| CAS number | 39687-95-1 |
| IUPAC name | methyl 2-isocyanoacetate |
| Molecular formula | C4H5NO2 |
| Molar mass | 99.09 g/mol |
| Exact mass | 99.032 |
| Grade | Reference Standard |
| Purity / assay | 97.32% |
| XLogP3 | -0.5 |
| H-bond donors / acceptors | 0 / 3 |
| Topological polar surface area | 30.7 Ų |
| InChIKey | CRXFROMHHBMNAB-UHFFFAOYSA-N |
| SMILES | COC(=O)C[N+]#[C-] |
| PubChem CID | 547815 |
| Synonyms | Isocyanoacetic Acid Methyl Ester, Acetic acid, isocyano-, methyl ester, methylisocyanoacetate, Isocyano-acetic acid methyl ester, methyl-isocyanoacetate, methyl isocyano-acetate, methyl alpha-isocyanoacetate |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Danger
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H314Causes severe skin burns and eye damage
- H331Toxic if inhaled
- H332Harmful if inhaled
Precautionary statements P260, P261, P264, P270, P271, P280, P301 + P317, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P304 + P340, P305 + P354 + P338, P316, P317, P321, P330, P362 + P364, P363, 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
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | 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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