ChemicalBook--->CAS DataBase List--->5459-58-5

5459-58-5

5459-58-5 Structure

5459-58-5 Structure
IdentificationMore
[Name]

n-Butyl cyanoacetate
[CAS]

5459-58-5
[Synonyms]

BCYA
BUTYL CYANOACETATE
BUTYL CYANOACETATE(N-)
CYANOACETIC ACID N-BUTYL ESTER
CYANOACETIC N-BUTYL ESTER
N-BUTYL CYANOACETATE
Acetic acid, cyano-, butyl ester
Aceticacid,cyano-,butylester
cyano-aceticacibutylester
n-Butyl cyanoacetate, 99+%
AButyl cyanoacetate
Butyl 2-cyanoacetate
n-Butyl a-cyanoacetate
2-Cyanoacetic acid butyl ester
[EINECS(EC#)]

226-730-1
[Molecular Formula]

C7H11NO2
[MDL Number]

MFCD00001941
[Molecular Weight]

141.17
[MOL File]

5459-58-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear liquid
[Boiling point ]

230.7 °C
[density ]

1
[refractive index ]

n20/D 1.425(lit.)
[Fp ]

189 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

3.06±0.10(Predicted)
[color ]

APHA: ≤60
[Water Solubility ]

IMMISCIBLE
[Usage]

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

DJACTCNGCHPGOI-UHFFFAOYSA-N
[CAS DataBase Reference]

5459-58-5(CAS DataBase Reference)
[NIST Chemistry Reference]

n-Butyl cyanoacetate(5459-58-5)
[EPA Substance Registry System]

5459-58-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
[RIDADR ]

UN 3276 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

AG3692500
[PackingGroup ]

III
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Butanol-->Sodium chloroacetate-->Butyl 2-chloroacetate-->Sodium cyanide-->Ethyl cyanoacetate-->Cyanoacetic acid-->MALONIC ACID DI-N-BUTYL ESTER-->1-Bromobutane-->Malononitrile
[Preparation Products]

enbucrilate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butyl cyanoacetate(5459-58-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear liquid
[Uses]

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%).
Spectrum DetailBack Directory
[Spectrum Detail]

n-Butyl cyanoacetate(5459-58-5)MS
n-Butyl cyanoacetate(5459-58-5)1HNMR
n-Butyl cyanoacetate(5459-58-5)13CNMR
n-Butyl cyanoacetate(5459-58-5)IR1
n-Butyl cyanoacetate(5459-58-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Butyl cyanoacetate, 99+%(5459-58-5)
[Alfa Aesar]

n-Butyl cyanoacetate, 99+%(5459-58-5)
[Sigma Aldrich]

5459-58-5(sigmaaldrich)
[TCI AMERICA]

Butyl Cyanoacetate,>98.0%(GC)(5459-58-5)
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