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344281 Sigma-Aldrich

2,4,6-Trichlorobenzoic acid

  • CAS Number 50-43-1

  • Linear Formula Cl3C6H2CO2H

  • Molecular Weight 225.46

  •  MDL number MFCD00060699

  •  PubChem Substance ID 24861240

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
Quality Level   100
mp   160-164 °C (lit.)
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

Description

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

Packaging

10 g in poly bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
RTECS 
DH8050000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles
Peer-Reviewed Papers
15

References

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