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Basic information

  • Name:
  • Butanoic acid, 4-chloro-4-oxo-, ethyl ester

  • Superlist Name:
  • Ethyl succinyl chloride
  • CAS No.:
  • 14794-31-1

  • Molecular Structure:
  • Formula:
  • C6H9ClO3
  • Molecular Weight:
  • 164.59
  • Deleted CAS:
  • 97900-84-0|473694-30-3
  • Synonyms:
  • Propionicacid, 3-(chloroformyl)-, ethyl ester (6CI,7CI,8CI);3-(Ethoxycarbonyl)propanoylchloride;3-Chlorocarbonylpropionic acid ethyl ester;4-Ethoxy-4-oxobutanoic acid chloride;Ethyl 3-chlorocarbonylpropionate;Ethyl 4-chloro-4-oxobutyrate;b-Ethoxycarbonylpropionyl chloride;
  • EINECS:
  • 238-855-9
  • Density:
  • 1.179 g/cm3
  • Boiling Point:
  • 207.8 °C at 760 mmHg
  • Flash Point:
  • 84.4 °C
  • Appearance:
  • clear colourless to yellow liquid
  • Hazard Symbols:
  • CorrosiveC
  • Risk Codes:
  • 34-36/37-14
  • Safety Description:
  • 26-27-36/37/39-45-24/25 Details
  • Transport Information:
  • UN 3265 8/PG 2
  • particular:
  • particular

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Chemistry

Molecular Structure of Butanoic acid, 4-chloro-4-oxo-, ethyl ester (CAS NO.14794-31-1):

IUPAC Name: ethyl 4-chloro-4-oxobutanoate 
Empirical Formula: C6H9ClO3
Molecular Weight: 164.5869
Sensitive: Moisture Sensitive
BRN: 1766126
EINECS: 238-855-9
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 43.37Å2
Index of Refraction: 1.436
Molar Refractivity: 36.49 cm3
Molar Volume: 139.5 cm3
Surface Tension: 34.8 dyne/cm
Density: 1.179 g/cm3
Flash Point: 84.4 °C
Enthalpy of Vaporization: 44.41 kJ/mol
Boiling Point: 207.8 °C at 760 mmHg
Vapour Pressure: 0.22 mmHg at 25°C
InChI
InChI=1/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
Smiles
O=C(OCC)CCC(Cl)=O

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34-36/37-14
R34:Causes burns. 
R36/37:Irritating to eyes and respiratory system. 
R14 :Reacts violently with water.
Safety Statements: 26-27-36/37/39-45-24/25
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. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: II

Specification

  Butanoic acid, 4-chloro-4-oxo-, ethyl ester , with CAS number of 14794-31-1, can be called Ethyl 3-(chloroformyl)propionate ; 3-Carbethoxypropionyl chloride ; 3-Chlorocarbonylpropionic acid ethyl ester ; 4-Chloro-4-oxobutanoic acid ethylester ; 4-Ethoxy-4-oxobutanoic acid chloride ; Monoethylsuccinoyl chloride ; b-Ethoxycarbonylpropionyl chloride ; b-Carbethoxypropionyl chloride . It is a clear colourless to yellow liquid.

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