chempirical

Dimethyl tetrachloroterephthalate

C10H6Cl4O4CAS 1861-32-1331.95 g/mol

Open in Covalent MOL file
OOClClOOClCl
Aryl halideEster

Properties

Molecular formula
C10H6Cl4O4
Molar mass
331.95 g/mol
Exact mass
329.9020 Da
Melting point
155–156 °C
Boiling point
365 °C
logP
3.87Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
1861-32-1
SMILES
COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl
InChIKey
NPOJQCVWMSKXDN-UHFFFAOYSA-N
InChI
InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester
  • Terephthalic acid, tetrachloro-, dimethyl ester
  • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester
  • Chlorthal-methyl
  • Dacthal
  • DAC 893
  • DCPA
  • Dimethyl 2,3,5,6-tetrachloroterephthalate
  • Tetrachloroterephthalic acid dimethyl ester
  • Chlorthal-dimethyl
  • Dac 4
  • TCTP
  • Chlorthal dimethyl ester
  • Tetral
  • 2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester
  • NSC 155745
  • Cepos
  • DCPA (herbicide)
  • 1,4-Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate

Work with Dimethyl tetrachloroterephthalate

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

Tetrachlorophthalic anhydride117-08-852 % similar Methyl 2,6-dimethoxybenzoate2065-27-250 % similar Methyl 2,6-dihydroxybenzoate2150-45-050 % similar Methyl 2,3-dichlorobenzoate2905-54-650 % similar Methyl 2-bromo-6-chlorobenzoate685892-23-348 % similar Methyl 4-chlorobenzoate1126-46-147 % similar Dimethyl terephthalate120-61-646 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-446 % similar

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

Elsewhere

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