tert-butyl cyanoacetate (CAS 1116-98-9) — formula C7H11NO2, molecular weight 141.17; category organic chemicals.
| CAS Number | 1116-98-9 |
|---|---|
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.17 |
| LogP | 1 |
| Applications | General Manufacturing Information: Acetic acid, 2-cyano-, 1, 1-dimethylethyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Acetic acid, 2-cyano-, 1, 1-dimethylethyl ester: INACTIVE.
tert-butyl cyanoacetate is a carbon-based organic compound with CAS registry number 1116-98-9 and molecular formula C7H11NO2 (molecular weight 141.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1116-98-9
Its molecular formula C7H11NO2 comprises 7 C, 11 H, 1 N, 2 O atoms.
Also known as: tert-butyl cyanoacetate · 氰乙酸叔丁酯
Category: organic chemicals
The CAS registry number of tert-butyl cyanoacetate is 1116-98-9.
Molecular formula C7H11NO2, molecular weight 141.17.
It is also registered under: tert-butyl cyanoacetate, 氰乙酸叔丁酯.
Recorded applications: General Manufacturing Information: Acetic acid, 2-cyano-, 1, 1-dimethylethyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for tert-butyl cyanoacetate (CAS 1116-98-9), compiled from public chemistry databases.
| CAS Registry Number | 1116-98-9 |
|---|---|
| PubChem CID | 70693 |
| Molecular formula | C7H11NO2 |
| IUPAC name | tert-butyl 2-cyanoacetate |
| UNII (FDA) | PWT31M9VDL |
| Molecular Weight | 141.17 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 141.078978594 |
| Monoisotopic Mass | 141.078978594 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 10 |
tert-Butyl cyanoacetate; tert-butyl 2-cyanoacetate; Acetic acid, cyano-, 1,1-dimethylethyl ester; Cyanoacetic Acid tert-Butyl Ester; Acetic acid, cyano-, tert-butyl ester; PWT31M9VDL; 1,1-dimethylethyl cyanoacetate; NSC 1072; NSC-1072; EINECS 214-243-7; UNII-PWT31M9VDL; NCCH2C(O)OC(CH3)3; DTXSID8061501; BFNYNEMRWHFIMR-UHFFFAOYSA-; Acetic acid, 2-cyano-, 1,1-dimethylethyl ester; TERT-BUTYL .ALPHA.-CYANOACETATE
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
tert-butyl cyanoacetate · CAS 1116-98-9 · C7H11NO2. UNII PWT31M9VDL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氰乙酸叔丁酯