CAS Number1116-98-9
Synonymstert-Butyl cyanoacetate; Cyanoacetic Acid tert-Butyl Ester; tert-butyl 2-cyanoacetate; MFCD00001938; 2-Methyl-2-propanyl cyanoacetate; tert-Butylcyanacetat; EINECS 214-243-7; Acetic acid, cyano-, 1,1-dimethylethyl ester; Acetic acid, cyano-, tert-butyl ester; Acetic acid, 2-cyano-, 1,1-dimethylethyl ester
Molecular FormulaNCCH2COOC(CH3)3
Molecular Weight141.17
Purity≥97.0 (GC)%
Density1.0±0.1 g/cm3
Boiling Point40-42 °C/0.1 mmHg (lit.)
Melting Point107-108ºC
Appearancecolorless liquid
EINECS214-243-7
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1116-98-9 |
| Catalog No. | 2A-9026160 |
| Chinese Name | 氰乙酸叔丁酯 |
| Synonyms | tert-Butyl cyanoacetate; Cyanoacetic Acid tert-Butyl Ester; tert-butyl 2-cyanoacetate; MFCD00001938; 2-Methyl-2-propanyl cyanoacetate; tert-Butylcyanacetat; EINECS 214-243-7; Acetic acid, cyano-, 1,1-dimethylethyl ester; Acetic acid, cyano-, tert-butyl ester; Acetic acid, 2-cyano-, 1,1-dimethylethyl ester |
| Molecular Formula | NCCH2COOC(CH3)3 |
| Molecular Weight | 141.17 |
| Purity | ≥97.0 (GC) |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 40-42 °C/0.1 mmHg (lit.) |
| Melting Point | 107-108ºC |
| Appearance | colorless liquid |
| Storage Condition | Keep container sealed and store in a cool, dry pla |
| EINECS | 214-243-7 |
| HTC | 2926909090 |
| PubChem ID | 57648301 |
| MDL Number | MFCD00001938 |
| SMILES | CC(C)(C)OC(=O)CC#N |
| InChI | 1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3 |
| InChI Key | BFNYNEMRWHFIMR-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1755933 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/26160_1_1116_98_9.pdf |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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