2,3,6-TBA

Identification (Source:EPA,EU)

ID 849
Name 2,3,6-TBA
CAS 50-31-7
IUPAC 2,3,6-trichlorobenzoic acid
Inchi InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
CIPAC 49
EPA Code
Formula C7H3Cl3O2
SMILES Clc1c(C(=O)O)c(Cl)ccc1Cl
Status Not Approved

Classification

Mode of Action Systemic, absorbed by leaves and roots with auxin type action
Pesticide Type Herbicide
Chemical Group Benzoic acid
Classification benzoic acid herbicides

Properties (Source:PubChem)

Molecular Weight 225.45
Physical State Colourless crystals
AlogP 3.453
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 191.44
Polar Surface Area 37.29

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Birds Acute LD50 1500 mg kg-1
Fish Acute 96 hour LC50 8.5 mg l-1
Honeybees Acute 48 hour LD50 100 μg bee-1
Mammals Acute oral LD50 > 1500 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 40
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