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Details

Stereochemistry ACHIRAL
Molecular Formula C7H2Cl3O2.Na
Molecular Weight 247.438
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,6-TBA-SODIUM

SMILES

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

InChI

InChIKey=DPMABEYFRYKAHD-UHFFFAOYSA-M
InChI=1S/C7H3Cl3O2.Na/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H2Cl3O2
Molecular Weight 224.449
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls.
2010
Pesticides in surface drinking-water supplies of the northern Great Plains.
2007-08
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:24:42 GMT 2025
Edited
by admin
on Mon Mar 31 22:24:42 GMT 2025
Record UNII
8FE75DUO4C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6-TBA-SODIUM
ISO  
Common Name English
2,3,6-TBA-SODIUM [ISO]
Preferred Name English
SODIUM TCBA
Common Name English
SODIUM 2,3,6-TRICHLOROBENZOATE
Systematic Name English
BENZOIC ACID, 2,3,6-TRICHLORO-, SODIUM SALT (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 17305
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
Code System Code Type Description
ALANWOOD
2,3,6-TBA-sodium
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID3042396
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-205-0
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
PRIMARY
FDA UNII
8FE75DUO4C
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
PRIMARY
CAS
2078-42-4
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
PRIMARY
PUBCHEM
23669616
Created by admin on Mon Mar 31 22:24:42 GMT 2025 , Edited by admin on Mon Mar 31 22:24:42 GMT 2025
PRIMARY