2,4,6-Trichlorobenzoic acid , 98% , 50-43-1

CAS NO.：50-43-1

Empirical Formula: C7H3Cl3O2

Molecular Weight: 225.46

MDL number: MFCD00060699

PRODUCT Properties

• 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: 2,4,6-Trichlorobenzoic acid (50-43-1)

Description and 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

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P280a-P304+P340-P405-P501a-P261-P305+P351+P338
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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