5-Bromo-2-chlorobenzoic acid , 98% , 21739-92-4

CAS NO.：21739-92-4

Empirical Formula: C7H4BrClO2

Molecular Weight: 235.46

MDL number: MFCD00002415

EINECS: 244-558-5

PRODUCT Properties

• Melting point: 154-156 °C (lit.)
• Boiling point: 324.5±27.0 °C(Predicted)
• Density: 1.7312 (rough estimate)
• refractive index: 1.5590 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• solubility: 2.63g/l
• pka: 2.49±0.25(Predicted)
• form: Solid
• color: Off white colored powder
• Water Solubility: Soluble in water 2.63 g/L @20°C.
• BRN: 2691432
• InChI: InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• InChIKey: FGERXQWKKIVFQG-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC(Br)=CC=C1Cl
• CAS DataBase Reference: 21739-92-4(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Bromo-2-chlorobenzoic acid(21739-92-4)
• EPA Substance Registry System: Benzoic acid, 5-bromo-2-chloro- (21739-92-4)

Description and Uses

5-Bromo-2-chlorobenzoic acid (BCBA) is an organic reagent that can be used in electroinduced dehalogenation reactions. Ag/Cu electrodes exhibit high electrocatalytic activity in the dehalogenation reaction of BCBA. The process is characterised by a sequence of halide excretion and hydrogen addition. Since the bond dissociation energy value of C-Br bond is smaller than that of C-Cl bond, Br-w is more easily released from the benzene ring. As C-Br breaks, BCBA gains electrons and hydrogen to form the intermediate 2-chlorobenzoate. C-Cl then breaks in the same way to give the final product benzoate.

5-Bromo-2-chlorobenzoic acid was used to evaluate the homogeneity of organic powder. It can be used to produce 2-chloro-5-deuteriobenzoic acid.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29163900