2,3,6-TBA-sodium

CAS Registry Number®

2078-42-4

CAS Name

2,3,6-TBA-sodium

Molecular Formula

C7H3Cl3O2.Na

Molecular Mass

248.45

Cite this Page

2,3,6-TBA-sodium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2078-42-4 (retrieved 2025-05-19) (CAS RN: 2078-42-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H3Cl3O2.Na/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);

InChIKey

InChIKey=ZPBVLDJCMFDZOL-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(Cl)C(Cl)=CC=C1Cl.[Na]

Canonical SMILES

[Na].O=C(O)C=1C(Cl)=CC=C(Cl)C1Cl

Other Names for this Substance

  • Benzoic acid, 2,3,6-trichloro-, sodium salt (1:1)
  • Benzoic acid, 2,3,6-trichloro-, sodium salt
  • Sodium 2,3,6-trichlorobenzoate
  • Sodium TCBA
  • 2,3,6-TBA-sodium

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