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ChemicalBook--->CAS DataBase List--->50-43-1

50-43-1

50-43-1 Structure

50-43-1 Structure
IdentificationMore
[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 PropertiesBack 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
[pka]

1.40±0.25(Predicted)
[BRN ]

1874127
[InChIKey]

RAFFVQBMVYYTQS-UHFFFAOYSA-N
[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 DataBack 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
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

n-Butyllithium-->Carbon dioxide-->1,3,5-Trichlorobenzene
[Preparation Products]

2,4,6-Trichlorobenzoyl chloride
Hazard InformationBack 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 DetailBack 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
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4,6-Trichlorobenzoic acid, 97%(50-43-1)
[Alfa Aesar]

2,4,6-Trichlorobenzoic acid, 94%(50-43-1)
[Sigma Aldrich]

50-43-1(sigmaaldrich)
[TCI AMERICA]

2,4,6-Trichlorobenzoic Acid,>98.0%(GC)(T)(50-43-1)
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