2,4,6-Trichlorobenzoic acid
- CAS NO.：50-43-1
- Empirical Formula: C7H3Cl3O2
- Molecular Weight: 225.46
- MDL number: MFCD00060699
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is 2,4,6-Trichlorobenzoic acid?
Chemical properties
beige to light brown crystalline powder
The Uses of 2,4,6-Trichlorobenzoic acid
2,4,6-Trichlorobenzoic acid can be used as 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 and Solid-phase synthesis of saphenamycin analogs with antimicrobial activity.
The Uses of 2,4,6-Trichlorobenzoic acid
2,4,6-Trichlorobenzoic Acid is a possible degradation intermediate of Polychlorinated Biphenyls (PCBs) in contaminated soil, suggesting the occurrence of microbial transformation processes over time.
The Uses of 2,4,6-Trichlorobenzoic acid
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
General Description
Structure and hydrogen bonding pattern in 2,4,6-trichlorobenzoic acid is reported.
Properties of 2,4,6-Trichlorobenzoic acid
| Melting point: | 160-164 °C (lit.) |
| Boiling point: | 329.7±37.0 °C(Predicted) |
| Density | 1.5599 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 1.40±0.25(Predicted) |
| color | White to Light yellow to Light orange |
| BRN | 1874127 |
| CAS DataBase Reference | 50-43-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 2,4,6-trichloro-(50-43-1) |
| EPA Substance Registry System | 2,4,6-Trichlorobenzoic acid (50-43-1) |
Safety information for 2,4,6-Trichlorobenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 2,4,6-Trichlorobenzoic acid
| InChIKey | RAFFVQBMVYYTQS-UHFFFAOYSA-N |
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