BCYA
n-Butyl cyanoacetate
CAS: 5459-58-5
Molecular Formula: C7H11NO2
BCYA - Names and Identifiers
| Name | n-Butyl cyanoacetate |
| Synonyms | BCYA BUTYL CYANOACETATE AButyl cyanoacetate n-Butyl cyanoacetate Butyl 2-cyanoacetate n-Butyl a-cyanoacetate BUTYL CYANOACETATE(N-) cyano-aceticacibutylester CYANOACETIC N-BUTYL ESTER Aceticacid,cyano-,butylester Cyano acetic acid butyl ester 2-Cyanoacetic acid butyl ester CYANOACETIC ACID N-BUTYL ESTER Acetic acid, cyano-, butyl ester |
| CAS | 5459-58-5 |
| EINECS | 226-730-1 |
| InChI | InChI=1/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3 |
| InChIKey | DJACTCNGCHPGOI-UHFFFAOYSA-N |
BCYA - Physico-chemical Properties
| Molecular Formula | C7H11NO2 |
| Molar Mass | 141.17 |
| Density | 1 |
| Boling Point | 230.7 °C |
| Flash Point | 189°F |
| Water Solubility | IMMISCIBLE |
| Vapor Presure | 0.0552mmHg at 25°C |
| Appearance | clear liquid |
| Color | APHA: ≤60 |
| pKa | 3.06±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.425(lit.) |
| Physical and Chemical Properties | Colorless or light yellow liquid. Boiling point 115 ℃(2kPa)108-110 ℃(1.2kPa), relative density 0.993(20/4 ℃), refractive index 1.4243(25 ℃), Flash Point 87 ℃. Miscible with alcohol, insoluble in water. |
| Use | Used as a chemical intermediate |
BCYA - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | AG3692500 |
| HS Code | 29269090 |
| Packing Group | III |
BCYA - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | cyanoacetate compounds are important organic synthesis raw materials and pharmaceutical dye intermediates. Butyl cyanoacetate is an ester organic substance and can be used as an intermediate in medical glue. |
| use | pharmaceutical intermediates. Used as a chemical intermediate |
| production method | is obtained by cyanidation and esterification of sodium chloroacetate. |
Last Update：2024-04-10 22:29:15
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