Methyl bromoacetate

CAS No. 96-32-2

Formula: C3H5BrO2
Basic Info

Methyl Bromoacetate is an organic building block that has been used as a reactant in the preparation of isoquinolinone indole acetic acid derivatives as antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases.

Formula
C3H5BrO2
Molecular Weight
152.975
Exact Mass
151.947
LogP
0.5543
PSA
26.3
Synonyms

Acetic acid, bromo-, methyl ester

BAM

Bromoacetic acid methyl

bromoacetic acid methyl ester

Methyl monobromoacetate

2-BROMOMETHYL ACETATE

Methyl bomoacetate

BROMO METHYLACETATE

METHYL 2-BROMOACETATE

2-Bromoacetic acid methyl ester

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Properties
Appearance & Physical State
clear to slightly yellow liquid
Density
1.616
Boiling Point
145ºC
Melting Point
-50ºC
Flash Point
62ºC
Refractive Index
1.457-1.459
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Condition
Store at R.T.
Safety Info
RTECS
AF6300000
Safety Statements
S26-S28-S45
WGK Germany
3
Risk Statements
R23/24/25
HS Code
29159080
RIDADR
UN 2643
Hazard Class
6.1
Packing Group
II
Hazard Codes
Spectrum
NMR Spectrum 13C NMR : in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
810.
Temperature Control
150.
Method
isothermal
Comments
Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Reference
Tiess, D.Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe1984, 33, 6-9.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
800.2
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.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
793.
Temperature Control
Method
temperature ramp
Comments
25. m/0.2 mm/0.33 μm, He, 50. C @ 5. min, 8. K/min, 300. C @ 10. min
Reference
Peters, R.J.D.de Leer, E.W.B.Versteegh, J.F.M.Identification of Halogenated Compounds Produced by Chlorination of Humic Acid in the Presence of BromideJ. Chromatogr. A1994, 686, 2, 253-261.

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