U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H3Cl3O2.C2H7N
Molecular Weight 270.54
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CNC.OC(=O)C1=C(Cl)C(Cl)=CC=C1Cl

InChI

InChIKey=QSFRJEUITMJQCX-UHFFFAOYSA-N
InChI=1S/C7H3Cl3O2.C2H7N/c8-3-1-2-4(9)6(10)5(3)7(11)12;1-3-2/h1-2H,(H,11,12);3H,1-2H3

HIDE SMILES / InChI

Molecular Formula C2H7N
Molecular Weight 45.0837
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H3Cl3O2
Molecular Weight 225.457
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:50:57 GMT 2023
Edited
by admin
on Sat Dec 16 05:50:57 GMT 2023
Record UNII
SE880I159J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6-TBA-DIMETHYLAMMONIUM
ISO  
Common Name English
BENZOIC ACID, 2,3,6-TRICHLORO-, COMPD. WITH N-METHYLMETHANAMINE (1:1)
Systematic Name English
METHANAMINE, N-METHYL-, 2,3,6-TRICHLOROBENZOATE
Systematic Name English
BENZOIC ACID, 2,3,6-TRICHLORO-, COMPD. WITH DIMETHYLAMINE (1:1)
Systematic Name English
2,3,6-TBA-DIMETHYLAMMONIUM [ISO]
Systematic Name English
2,3,6-TRICHLOROBENZOIC ACID DIMETHYLAMMONIUM SALT
Systematic Name English
POLIDIM
Brand Name English
TRYSBEN 200
Brand Name English
BENZAC 1281
Brand Name English
2,3,6-TCBA DIMETHYLAMINE SALT
Systematic Name English
KF-2
Brand Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 17303
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID3074999
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-329-0
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
PRIMARY
CAS
3426-62-8
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
PRIMARY
CAS
11126-74-2
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
SUPERSEDED
PUBCHEM
18905
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
PRIMARY
FDA UNII
SE880I159J
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
PRIMARY
CAS
12767-45-2
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
SUPERSEDED
ALANWOOD
2,3,6-TBA-dimethylammonium
Created by admin on Sat Dec 16 05:50:57 GMT 2023 , Edited by admin on Sat Dec 16 05:50:57 GMT 2023
PRIMARY