Methyl Trichloroacetate

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Properties Simple | Detailed

Formula C3H3Cl3O2
IUPAC Name methyl 2,2,2-trichloroacetate
Molecular Mass 177.414 g·mol−1
Heat of Formation -424.4 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 161.6 Å 3
Surface Area 163.46 Å 2
HOMO Energy -11.29 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,2,2-trichloroacetic acid methyl ester
  • acetic acid, trichloro-, methyl ester
  • methyl 2,2,2-trichloroethanoate
  • methyl trichloroacetate [un2533] [poison]
  • methyl trichloroacetic acid
CAS Number(s)
  • 598-99-2
InChIKey VHFUHRXYRYWELT-UHFFFAOYSA-N
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Elements H C O Cl