Methyl chloroacetate
An ester, C3H5ClO2, 108.524 g/mol. Boiling point 130 °C, melting point -32.3 °C, as published.
Identifiers
- Molecular formula
- C₃H₅ClO₂
- Molecular weight
- 108.524 g/mol
- Exact mass
- 107.997807 g/mol
- IUPAC name
- methyl 2-chloroacetate
- COC(=O)CCl
- InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
- QABLOFMHHSOFRJ-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 266 °F at 760 mmHg (USCG, 1999)
- 130 °C
- Melting Point
- -26 °F (USCG, 1999)
- -32.3 °C
- Density
- 1.2337 at 68 °F (USCG, 1999) - Denser than water; will sink
- 1.236 g/cu cm at 20 °C
- Solubility
- In water, 4.6X10+4 mg/L at 20 °C
- In water, 5.2 g/100 mL at 19.8 °C (5.2X10+4 mg/L)
- Vapor Pressure
- 16.54 mmHg (USCG, 1999)
- 7.63 [mmHg]
- LogP
- 0.76 (calculated)
- Flash Point
- 125 °F (USCG, 1999)
- 57 °C
- Viscosity
- 2.95X10-3 Pa.s at 241.03 K
- Refractive Index
- Index of refraction: 1.4218 at 20 °C
Calculated properties
- Molecular weight
- 108.52 g/mol
- Exact mass
- 107.9978071 Da
- XLogP3
- 0.7
- Polar surface area
- 26.3 Ų
- Complexity
- 52
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- 0.3982
- Topological polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 1
- Molar refractivity
- 22.736 cm³/mol
- Fraction sp³ carbons
- 0.6667
- QED drug-likeness
- 0.3591
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-chloroacetate.
The sources also call it methyl 2-chloroacetate, Chloroacetic acid methyl ester, Methyl monochloroacetate, Methyl chloroethanoate, Acetic acid, chloro-, methyl ester, Methyl monochloracetate, Methyl alpha-chloroacetate, Monochloroacetic acid methyl ester, NSC 2635, UN2295, ClH2CCOOCH3.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Methyl chloroacetate. 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-Nitrophenoxy)-acetic acid methoxycarbonylmethyl ester
formed as a product
C₁₁H₁₁NO₇, 269.209 g/mol.
(Phenylsulfonyl)acetic acid
formed as a product
C₈H₈O₄S, 200.215 g/mol.
(4-Nitrophenoxy)acetic acid
used as a reactant
C₈H₇NO₅, 197.146 g/mol.
(2-Amino-5-cyano-6-phenyl-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
formed as a product
C₁₄H₁₂N₄O₂S, 300.343 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 C3H5ClO2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Methyl chloroacetate 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.