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About This Item

Linear Formula:
Cl3C6H2CO2H
CAS Number:
Molecular Weight:
225.46
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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mp

160-164 °C (lit.)

functional group

carboxylic acid
chloro

SMILES string

OC(=O)c1c(Cl)cc(Cl)cc1Cl

InChI

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

InChI key

RAFFVQBMVYYTQS-UHFFFAOYSA-N

General description

Structure and hydrogen bonding pattern in 2,4,6-trichlorobenzoic acid is reported.

Application

2,4,6-Trichlorobenzoic acid may be employed as sole carbon and energy supplement for a microbial community. It may be used in the synthesis of (+)-methynolide, the aglycon of a macrolide antibiotic, methymycin.
Reactant involved in:
  • Active-sodium-promoted reductive cleavage of halogenated benzoic acids
  • Synthesis of aryl aminopyrazole benzamides for use as non-steroidal selective glucocorticoid receptor agonists
  • Flame retardant monomer synthesis
  • Synthesis of 3,4,7-trisubstituted coumarins for use as antifungals
  • Solid-phase synthesis of saphenamycin analogs with antimicrobial activity

Cocatalyst for cis-dihydroxylation and epoxidation of alkenes

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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