| Identification | More | [Name]
2,4,6-Trichlorobenzoic acid | [CAS]
50-43-1 | [Synonyms]
2,4,6-TRICHLOROBENZOIC ACID
LABOTEST-BB LT00454748
RARECHEM AL BO 0563
TIMTEC-BB SBB003323
2,4,6-trichloro-benzoicaci
2,4,6-TRICHLOROBENZOIC ACID 99+%
2,4,6-TRICHLOROBENZOIC ACID 98% (HPLC)
2,4,6-trichlorobbenzoicacid | [Molecular Formula]
C7H3Cl3O2 | [MDL Number]
MFCD00060699 | [Molecular Weight]
225.46 | [MOL File]
50-43-1.mol |
| Chemical Properties | Back Directory | [Appearance]
beige to light brown crystalline powder | [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 | [InChI]
1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12) | [InChIKey]
RAFFVQBMVYYTQS-UHFFFAOYSA-N | [SMILES]
OC(=O)c1c(Cl)cc(Cl)cc1Cl | [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]
50-43-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
DH8050000
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
beige to light brown crystalline powder | [Uses]
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 | [Uses]
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.
| [Uses]
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. | [General Description]
Structure and hydrogen bonding pattern in 2,4,6-trichlorobenzoic acid is reported. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,6-Trichlorobenzoic acid(50-43-1)MS
2,4,6-Trichlorobenzoic acid(50-43-1)1HNMR
2,4,6-Trichlorobenzoic acid(50-43-1)13CNMR
2,4,6-Trichlorobenzoic acid(50-43-1)IR1
2,4,6-Trichlorobenzoic acid(50-43-1)IR2
2,4,6-Trichlorobenzoic acid(50-43-1)Raman
|
|
|