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Methyl Bromoacetate

Catalog Number
ACM96322
Product Name
Methyl Bromoacetate
Structure
CAS
96-32-2
Category
Polymerization Reagents
Description
Methyl bromoacetate appears as a colorless to straw-colored liquid with a sharp penetrating odor. Denser than water and soluble in water. Severly irritates skin and eyes. Toxic by ingestion and inhalation. Used to make vitamins and pharmaceuticals.
IUPAC Name
methyl 2-bromoacetate
Molecular Weight
152.97g/mol
Molecular Formula
C3H5BrO2
SMILES
COC(=O)CBr
InChI
InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey
YDCHPLOFQATIDS-UHFFFAOYSA-N
Boiling Point
132.0 °C;141 °C
Melting Point
Freezing point: -50 °C
Density
1.6350 g/cu cm at 20 °C
Solubility
In water, 5.12X10+4 mg/L at 25 °C (est);Soluble in ethanol, ether, acetone, benzene
EC Number
202-499-2
NSC Number
2642
UN Number
2643;2643;2643
Stability
Stable under recommended storage conditions.
Status
0
Color/Form
Colorless to straw-colored liquid
Complexity
52.8
Formal Charge
0
Exact Mass
151.94729g/mol
Monoisotopic Mass
151.94729g/mol
Corrosivity
Corrosive
LogP
log Kow = 0.72 (est)
XLogP3
0.9
Refractive Index
Index of refraction: 1.4520 at 20 °C/D
UNII
LI6481MCM6
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)
Vapor Pressure
6.07 mm Hg at 25 °C (est)
Covalently-Bonded Unit Count
1
Heavy Atom Count
6
Rotatable Bond Count
2
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