CAS 96-32-2 Methyl Bromoacetate - Materials / Alfa Chemistry

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Methyl Bromoacetate

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Catalog Number

ACM96322

Product Name

Methyl Bromoacetate

Structure

CAS

96-32-2

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

EC Number

202-499-2

Exact Mass

151.94729g/mol

Formal Charge

Hazard Class

6.1

Heavy Atom Count

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

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