Bromoacetic Acid
A carboxylic acid, C2H3BrO2, 138.948 g/mol. Boiling point 208 °C, melting point 50 °C, as published.
Identifiers
- Molecular formula
- C₂H₃BrO₂
- Molecular weight
- 138.948 g/mol
- Exact mass
- 137.931641 g/mol
- IUPAC name
- 2-bromoacetic acid
- O=C(O)CBr
- InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
- KDPAWGWELVVRCH-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 208 °C
- 208 °C
- Melting Point
- 50 °C
- 50 °C
- Density
- Density: 1.9335 at 50 °C
- Solubility
- 1750000 mg/L (at 25 °C)
- In water, 6.36X10+5 mg/L at 25 °C
- Vapor Pressure
- 0.11 [mmHg]
- 0.119 mm Hg at 25 °C
- LogP
- 0.41
- log Kow = 0.41
- Flash Point
- 113 °C (235 °F) - closed cup
- Refractive Index
- Index of refraction: 1.4804 at 50 °C/D
Calculated properties
- Molecular weight
- 138.95 g/mol
- Exact mass
- 137.93164 Da
- XLogP3
- 0.4
- Polar surface area
- 37.3 Ų
- Complexity
- 42
- H-bond donors
- 1
- H-bond acceptors
- 2
- logP
- 0.4659
- Topological polar surface area
- 37.3 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 1
- Molar refractivity
- 21.4298 cm³/mol
- Fraction sp³ carbons
- 0.5
- QED drug-likeness
- 0.5356
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 5
- Total atoms, hydrogen included
- 8
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Carboxylic acid
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 2-bromoacetic acid.
The sources also call it 2-Bromoacetic acid, Acetic acid, bromo-, Monobromoacetic acid, Bromoethanoic acid, To NTU, Bromoacetate ion, Acide bromacetique, 2-Bromoacetyl Group, 2-bromoethanoic acid, Monobromessigsaeure, Kyselina bromoctova.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Bromoacetic Acid. 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.
(3-{6-[2-(2-Chloro-6-fluoro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-benzyloxy)-acetic acid
formed as a product
C₂₂H₂₁ClFN₃O₄, 445.878 g/mol.
(3-{6-[2-(2-Chloro-6-fluoro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenyl)-methanol
used as a reactant
C₂₀H₁₉ClFN₃O₂, 387.842 g/mol.
1,4-Dioxane
used as a reactant
C₄H₈O₂, 88.106 g/mol.
(6-Chloro-1H-indol-3-yl)[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
used as a reactant
C₂₁H₂₂ClN₃O₂, 383.879 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 B
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C2H3BrO2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Bromoacetic Acid 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.