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n-Butyl cyanoacetate · CAS 5459-58-5 · C7H11NO2. UNII F9H6L20VOH.
| CAS Registry Number | 5459-58-5 |
|---|---|
| PubChem CID | 79571 |
| Molecular formula | C7H11NO2 |
| IUPAC name | butyl 2-cyanoacetate |
| UNII (FDA) | F9H6L20VOH |
| Molecular Weight | 141.17 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 141.078978594 |
| Monoisotopic Mass | 141.078978594 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| GHS notification summary | 27.3% (15 / 55) |
|---|
| GHS notification summary | 27.3% (15 / 55) |
|---|---|
| Reported hazard statements | H312 (70.9%), H315 (72.7%), H319 (72.7%), H332 (70.9%), H335 (70.9%) |
This chemical does not meet GHS hazard criteria for 27.3% (15 of 55) of reports.
H312 (70.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Butyl cyanoacetate; 5459-58-5; butyl 2-cyanoacetate; n-Butyl cyanoacetate; Acetic acid, cyano-, butyl ester; Cyanoacetic Acid Butyl Ester; UNII-F9H6L20VOH; DTXSID1044439; EINECS 226-730-1; Acetic acid, 2-cyano-, butyl ester; F9H6L20VOH; MFCD00001941; Cyanoacetic acid n-butyl ester; BRN 1761735; Butyl cyanoacetate, 95%; EC 226-730-1
CAS 5459-58-5; molecular formula C7H11NO2; molecular weight — g/mol.
Butyl cyanoacetate, 5459-58-5, butyl 2-cyanoacetate, n-Butyl cyanoacetate, Acetic acid, cyano-, butyl ester, Cyanoacetic Acid Butyl Ester.
27.3% of GHS notifications report no hazard classification (15 of 55).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.