chempirical

Ethyl trichloroacetate

C4H5Cl3O2CAS 515-84-4191.43 g/mol

Open in Covalent MOL file
OOClClCl
Alkyl halideEster

Properties

Molecular formula
C4H5Cl3O2
Molar mass
191.43 g/mol
Exact mass
189.9355 Da
Density
1.3886 g/mL (at 20 °C)
Melting point
237 °C
Boiling point
167.5 °C
logP
1.92Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
515-84-4
SMILES
CCOC(=O)C(Cl)(Cl)Cl
InChIKey
SJMLNDPIJZBEKY-UHFFFAOYSA-N
InChI
InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names
  • Acetic acid, 2,2,2-trichloro-, ethyl ester
  • Acetic acid, trichloro-, ethyl ester
  • NSC 8829

Work with Ethyl trichloroacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-chloro-2,2-difluoroacetate383-62-061 % similar Diethyl 1,1-cyclopropanedicarboxylate1559-02-058 % similar Ethyl pivalate3938-95-258 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-956 % similar Ethyl trifluoroacetate383-63-156 % similar 1,3-Diethyl 2,2-dibromopropanedioate631-22-156 % similar Diethylmalonic acid diethyl ester77-25-856 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook