Isopropyl Chloroacetate

CAS No. 105-48-6

Formula: C5H9ClO2
Basic Info

Formula
C5H9ClO2
Molecular Weight
136.577
Exact Mass
136.029
LogP
1.1768
PSA
26.3
Synonyms

Acetic acid, chloro-, 1-methylethyl ester

propan-2-yl 2-chloroacetate

Isopropyl chloroacetate

Chloroacetic Acid Isopropyl Ester

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Properties
Appearance & Physical State
A clear colorless liquid.
Density
1.096
Boiling Point
149-150ºC
Melting Point
-112ºC
Flash Point
56ºC
Refractive Index
1.418-1.42
Water Solubility
SLIGHTLY SOLUBLE
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
Vapor Pressure
0.0768mmHg at 25°C
Safety Info
Safety Statements
S26-S37/39-S45
WGK Germany
1
Risk Statements
R10; R25; R36/37/38
HS Code
2915400090
RIDADR
UN 2947
Hazard Class
3
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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Mass Spectrum Mass
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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
850.7
Temperature Control
80.
Method
isothermal
Comments
N2; Column length: 15. m; Column diameter: 0.22 mm
Reference
Komárek, K.Hornová, L.Churácek, J.Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101J. Chromatogr.1982, 244, 1, 142-147.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
845.
Temperature Control
Method
temperature ramp
Comments
6. K/min; Column length: 25. m; Column diameter: 0.3 mm; T<sub>start</sub>: 50. C
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XXV. Branched-Chain C3-C5 Alkyl Esters of Halogenated Acetic AcidsJ. Chromatogr.1984, 288, 51-69.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
845.
Temperature Control
Method
temperature ramp
Comments
6. K/min; Column length: 25. m; Column diameter: 0.3 mm; T<sub>start</sub>: 50. C
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XXV. Branched-Chain C3-C5 Alkyl Esters of Halogenated Acetic AcidsJ. Chromatogr.1984, 288, 51-69.
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-351
Retention index
1280.
Temperature Control
Method
temperature ramp
Comments
6. K/min; Column length: 25. m; Column diameter: 0.32 mm; T<sub>start</sub>: 50. C
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XXV. Branched-Chain C3-C5 Alkyl Esters of Halogenated Acetic AcidsJ. Chromatogr.1984, 288, 51-69.
Van Den Dool and Kratz RI, polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-351
Retention index
1280.
Temperature Control
Method
temperature ramp
Comments
6. K/min; Column length: 25. m; Column diameter: 0.32 mm; T<sub>start</sub>: 50. C
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XXV. Branched-Chain C3-C5 Alkyl Esters of Halogenated Acetic AcidsJ. Chromatogr.1984, 288, 51-69.
Synthesis Route

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