HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-cyano-2-(hydroxyimino)-acetate
methyl 2-cyano-2-oximinoacetate · METHYL 2-CYANO-2-(HYDROXYIMINO)-ACETATE · Acetic acid, 2-cyano-2-(hydroxyiMino)-, Methyl ester
Identifiers & Physical Properties
| CAS No. | 61295-92-9 |
|---|---|
| Molecular formula | C4H4N2O3 |
| Average molar mass | 128.09 g/mol |
| Monoisotopic mass | 128.02219199 g/mol |
| SMILES | COC(=O)/C(C#N)=N/O |
| InChIKey | ZTUBRMAHOKWHCL-ZZXKWVIFSA-N |
| PubChem CID | 6861450 |
| EC No. | 653-749-6 |
| DTXSID | DTXSID90425920 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 82.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 187 |
| Solubility | Acetone, Chloroform, Dichloromethane, DMSO, Methanol |
| Physical state | Solid |
| Color | Light Yellow |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H317-H319 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501 |
Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| GHS hazard statements | H301-H317-H319 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501 |
Applications & Uses
Uses
Methyl 2-Cyano-2-oximinoacetate is an intermediate in synthesizing 2-Cyano-2-(methoxyimino)acetic Acid (C989423), which is a cyano-oxime derivative used as a fungicide.