TCPO

C14H4Cl6O4CAS 1165-91-9448.88 g/mol

Open in Covalent MOL file
OOClClClOOClClCl
Aryl halideEster

Properties

Molecular formula
C14H4Cl6O4
Molar mass
448.88 g/mol
Exact mass
445.8241 Da
logP
6.12Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1165-91-9
SMILES
O=C(Oc1c(Cl)cc(Cl)cc1Cl)C(=O)Oc1c(Cl)cc(Cl)cc1Cl
InChIKey
GEVPIWPYWJZSPR-UHFFFAOYSA-N
InChI
InChI=1S/C14H4Cl6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H

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Names and synonyms

7 names
  • Ethanedioic acid, 1,2-bis(2,4,6-trichlorophenyl) ester
  • Oxalic acid, bis(2,4,6-trichlorophenyl) ester
  • Ethanedioic acid, bis(2,4,6-trichlorophenyl) ester
  • Phenol, 2,4,6-trichloro-, oxalate (2:1)
  • Bis(2,4,6-trichlorophenyl) oxalate
  • Bis(2,4,6-trichlorophenyl) oxalic acid ester
  • TCPO (oxalate)

Work with TCPO

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(2,4,6-trichlorophenyl) propanedioate15781-70-163 % similar 2,4,6-Trichlorophenyl formate4525-65-948 % similar 2,4,6-Trichloroanisole87-40-148 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-245 % similar 2,4,6-Trichlorobenzoic acid50-43-144 % similar 1,2,3,5-Tetrachlorobenzene634-90-241 % similar N-(2,4,6-Trichlorophenyl)maleimide13167-25-440 % similar 2,4-Dichlorobenzoyl peroxide133-14-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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