tert-Butyl bromoacetate

CAS No. 5292-43-3

Formula: C6H11BrO2
Basic Info

tert-Butyl Bromoacetate is a halogenated t-butyl acetate commonly used as an alkylating agent. tert-Butyl Bromoacetate is used in the synthesis of collagenase inhibitors.

Formula
C6H11BrO2
Molecular Weight
195.054
Exact Mass
193.994
LogP
1.723
PSA
26.3
Synonyms

Bromoacetic Acid tert-Butyl Ester

tert-Butyl Bromoacetate

Acetic acid, bromo-, 1,1-dimethylethyl ester

tert-butyl 2-bromoacetate

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Properties
Appearance & Physical State
slightly yellow transparent liquid
Density
1.208
Boiling Point
50ºC (10 torr)
Flash Point
49ºC
Refractive Index
1.444-1.446
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Condition
0-6ºC
Safety Info
Safety Statements
S16-S24/25
WGK Germany
3
Risk Statements
R10; R36/37/38
HS Code
2915709000
RIDADR
UN 1993 3/PG 3
Hazard Class
3
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
949.
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
1359.
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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