Methyl bromoacetate
An ester, C3H5BrO2, 152.975 g/mol. Boiling point 141 °C, melting point -50 °C, as published.
Identifiers
- Molecular formula
- C₃H₅BrO₂
- Molecular weight
- 152.975 g/mol
- Exact mass
- 151.947292 g/mol
- IUPAC name
- methyl 2-bromoacetate
- COC(=O)CBr
- InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
- YDCHPLOFQATIDS-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 141 °C
- BP: 145.0-146.7 °C
- Melting Point
- Freezing point: -50 °C
- Density
- 1.6350 g/cu cm at 20 °C
- 1.616 @25 °C
- Solubility
- Soluble in ethanol, ether, acetone, benzene
- LogP
- 0.77
- Refractive Index
- Index of refraction: 1.4520 at 20 °C/D
Calculated properties
- Molecular weight
- 152.97 g/mol
- Exact mass
- 151.94729 Da
- XLogP3
- 0.9
- Polar surface area
- 26.3 Ų
- Complexity
- 52
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 0.5543
- Topological polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 1
- Molar refractivity
- 25.81 cm³/mol
- Fraction sp³ carbons
- 0.6667
- QED drug-likeness
- 0.4058
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 6
- Total atoms, hydrogen included
- 11
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Ester
Ether
Halide (C–X)
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is methyl 2-bromoacetate.
The sources also call it methyl 2-bromoacetate, Bromoacetic acid methyl ester, Methyl monobromoacetate, ACETIC ACID, BROMO-, METHYL ESTER, Methyl alpha-bromoacetate, NSC 2642, Acetic acid, 2-bromo-, methyl ester, Methylester kyseliny bromoctove, 2-bromoacetic acid methyl ester, Methyl .alpha.-bromoacetate, EINECS 202-499-2.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Methyl bromoacetate. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(4'-Tert-butoxycarbonylamino-biphenyl-4-yloxy)-acetic acid methyl ester
formed as a product
C₂₀H₂₃NO₅, 357.406 g/mol.
(+/-)-(2-{1-[(3-tert-Butoxycarbonylaminopropyl)-(4-methylbenzoyl)-amino]-propyl}-4-oxo-4H-pyrrolo[2,1-f][1,2,4]triazin-3-yl)-acetic acid methyl ester
formed as a product
C₂₈H₃₇N₅O₆, 539.633 g/mol.
(3,4-Dimethyl-phenoxy)-acetic acid methyl ester
formed as a product
C₁₁H₁₄O₃, 194.23 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under M
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C3H5BrO2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Methyl bromoacetate for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.