n-Butyl cyanoacetate (CAS 5459-58-5) — formula C7H11NO2, molecular weight 141.17; category organic chemicals.
| CAS Number | 5459-58-5 |
|---|---|
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.17 |
| LogP | 1.3 |
| Applications | Industry Uses: Intermediate, U.S. Production: 2023: 35, 274 lb, 2022: 35, 2021: 141, 094 lb, 2020: 35, General Manufacturing Information: Miscellaneous Manufacturing, Acetic acid, 2-cyano-, butyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Industry Uses: Intermediate, U.S. Production: 2023: 35, 274 lb, 2022: 35, 2021: 141, 094 lb, 2020: 35, General Manufacturing Information: Miscellaneous Manufacturing, Acetic acid, 2-cyano-, butyl ester: ACTIVE.
n-Butyl cyanoacetate is a carbon-based organic compound with CAS registry number 5459-58-5 and molecular formula C7H11NO2 (molecular weight 141.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5459-58-5
Its molecular formula C7H11NO2 comprises 7 C, 11 H, 1 N, 2 O atoms.
Also known as: n-Butyl cyanoacetate · 氰乙酸正丁酯
Category: organic chemicals
The CAS registry number of n-Butyl cyanoacetate is 5459-58-5.
Molecular formula C7H11NO2, molecular weight 141.17.
It is also registered under: n-Butyl cyanoacetate, 氰乙酸正丁酯.
Recorded applications: Industry Uses: Intermediate, U.S. Production: 2023: 35, 274 lb, 2022: 35, 2021: 141, 094 lb, 2020: 35, General Manufacturing Information: Miscellaneous Manufacturing, Acetic acid, 2-cyano-, butyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for n-Butyl cyanoacetate (CAS 5459-58-5), compiled from public chemistry databases.
| 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 |
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
| 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]
n-Butyl cyanoacetate · CAS 5459-58-5 · C7H11NO2. UNII F9H6L20VOH.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氰乙酸正丁酯