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HomeProduct name listn-Butyl cyanoacetate

n-Butyl cyanoacetate

  • CAS NO.:5459-58-5
  • Empirical Formula: C7H11NO2
  • Molecular Weight: 141.17
  • MDL number: MFCD00001941
  • EINECS: 226-730-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-25 16:21:11
n-Butyl cyanoacetate Structural

What is n-Butyl cyanoacetate?

Chemical properties

Clear liquid

The Uses of n-Butyl cyanoacetate

Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet

General Description

tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.

Synthesis

To a well-stirred mixture of cyano acid (80 mmol) in alcohol (90 mmol), and acetonitrile (162 mmol) , added sulfuric acid (98%, 94 mmol, 5 mL) at room temperature and temperature maintained between 80-85°C for 16-18h. The reaction mixture was cooled and added to 20% sodium carbonate solution (100 mL). The reaction mass was extracted in CH2Cl2 (50 mL × 2). The combined organic layer was washed with water (100 mL), dried over sodium sufate, and concentrated under reduced pressure to obtain n-Butyl cyanoacetate (85-95%).

Properties of n-Butyl cyanoacetate

Boiling point: 230.7 °C
Density  1
refractive index  n20/D 1.425(lit.)
Flash point: 189 °F
storage temp.  2-8°C
form  clear liquid
pka 3.06±0.10(Predicted)
color  APHA: ≤60
Water Solubility  IMMISCIBLE
CAS DataBase Reference 5459-58-5(CAS DataBase Reference)
NIST Chemistry Reference n-Butyl cyanoacetate(5459-58-5)
EPA Substance Registry System Acetic acid, cyano-, butyl ester (5459-58-5)

Safety information for n-Butyl cyanoacetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for n-Butyl cyanoacetate

InChIKey DJACTCNGCHPGOI-UHFFFAOYSA-N

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