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Methyl Bromoacetate

Catalog Number
ACM96322
CAS Number
96-32-2
Product Name
Methyl Bromoacetate
Structure
Category
Polymerization Reagents
Description
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.
IUPAC Name
methyl 2-bromoacetate
Molecular Weight
152.97g/mol
Molecular Formula
C3H5BrO2
Canonical SMILES
COC(=O)CBr
InChI
InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
InChI Key
YDCHPLOFQATIDS-UHFFFAOYSA-N
Boiling Point
132.0 °C;141 °C
Melting Point
-50ºC
Flash Point
62ºC
Density
1.616
Solubility
In water, 5.12X10+4 mg/L at 25 °C (est);Soluble in ethanol, ether, acetone, benzene
Appearance
Clear to slightly yellow liquid
Color/Form
Colorless to straw-colored liquid
Complexity
52.8
Corrosivity
Corrosive
Covalently-Bonded Unit Count
1
EC Number
202-499-2
Exact Mass
151.94729g/mol
Formal Charge
0
Hazard Class
6.1
Heavy Atom Count
6
Log P
0.55430
MDL Number
MFCD00000189
Monoisotopic Mass
151.94729g/mol
NSC Number
2642
Odor
Sharp penetrating odor
Other Experimental
BP: 145.0-146.7 °C;BP: 51-52 °C at 15 mm Hg;Lachrymator;Henry's Law constant = 3.54X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.17X10-13 cu cm/molecule-sec at 25 °C (est)
Refractive Index
1.457-1.459
Rotatable Bond Count
2
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Conditions
Store at R.T.
UNII
LI6481MCM6
UN Number
2643;2643;2643
Vapor Pressure
6.07 mm Hg at 25 °C (est)
WGK Germany
3
XLogP3
0.9
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