3-Chloropropionic Acid Methyl Ester

CAS No. 6001-87-2

Formula: C4H7ClO2
Basic Info

Formula
C4H7ClO2
Molecular Weight
122.55
Exact Mass
122.013
LogP
0.7883
PSA
26.3
Synonyms

Propanoic acid, 3-chloro-, methyl ester

methyl 3-chloropropanoate

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Properties
Density
1.119 g/cm3
Boiling Point
156ºC
Flash Point
40.5ºC
Refractive Index
1.741
Safety Info
HS Code
2915900090
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
833.
Temperature Control
120.
Method
isothermal
Comments
 
Reference
Evans, M.B.Haken, J.K.Tóth, T.Solute characterization in gas chromatography by an extension of Kováts retention index system. Dispersion and selectivity indicesJ. Chromatogr.1986, 351, 155-164.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
829.
Temperature Control
100.
Method
isothermal
Comments
Column length: 25. m; Column diameter: 0.33 mm
Reference
Haken, J.K.Korhonen, I.O.O.Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columnsJ. Chromatogr.1985, 319, 131-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
819.
Temperature Control
120.
Method
isothermal
Comments
Column length: 25. m; Column diameter: 0.33 mm
Reference
Haken, J.K.Korhonen, I.O.O.Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columnsJ. Chromatogr.1985, 319, 131-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
799.
Temperature Control
160.
Method
isothermal
Comments
Column length: 25. m; Column diameter: 0.33 mm
Reference
Haken, J.K.Korhonen, I.O.O.Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columnsJ. Chromatogr.1985, 319, 131-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
838.
Temperature Control
80.
Method
isothermal
Comments
Column length: 25. m; Column diameter: 0.33 mm
Reference
Haken, J.K.Korhonen, I.O.O.Gas chromatography of homologous esters. XXVII. Retention increments of C1-C18 primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columnsJ. Chromatogr.1985, 319, 131-142.
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