| Identification | More | [Name]
2-Chloro-5-fluorobenzoic acid | [CAS]
2252-50-8 | [Synonyms]
2-CHLORO-5-FLUOROBENZOIC ACID
5-FLUORO-2-CHLOROBENZOIC ACID
BUTTPARK 19\01-68
RARECHEM AL BO 2229
2-chloro-5-fluorobenzoicacid,98%
2-Chloro-5-FluorobenzoicAcid99%
2-Chloro-5-Fluorobenzoic Acid 99%
2-Chloro-5-Fluorobenzoic
2-Choloro-5-fluorobenzoic acid | [EINECS(EC#)]
216-430-9 | [Molecular Formula]
C7H4ClFO2 | [MDL Number]
MFCD00156967 | [Molecular Weight]
174.56 | [MOL File]
2252-50-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
147-149°C | [Boiling point ]
275.3±20.0 °C(Predicted) | [density ]
1.477±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
2.54±0.25(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11) | [InChIKey]
MIZKCMSSYVUZKD-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(F)=CC=C1Cl | [CAS DataBase Reference]
2252-50-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
22-36/37/38 | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow powder | [Uses]
2-Chloro-5-fluorobenzoic acid serves as a precursor for metal complexes, where it is converted to the sodium salt with sodium hydroxide and reacted with copper(II) sulfate pentahydrate in aqueous medium to form copper(II) bis(2-chloro-5-fluorobenzoate). The resulting 2-chloro-5-fluorobenzoate anion acts as a ligand coordinating to Cu(II) centers in complex chains stabilized by C–H···π interactions, and constitutes the counter-anion in the crystal structure of [Co(phen)₂CO₃]₂(C₇H₃O₂FCl)Cl·11H₂O[1][2]. | [Preparation]
2-Chloro-5-fluorobenzoic acid is obtained via selective debromination of 4-bromo-2-chloro-5-fluorobenzoic acid under one-photon conditions[3].
| [References]
[1] Singh, A., Sharma, R. P., Aree, T., Venugopalan, P. (2010). Weak C-H…F-C interactions in carboxylate anion binding: Synthesis, spectroscopic and X-ray structural studies of [Co(phen)2CO3]2 (C7H3O2FCl)Cl·11H2O and [Co(phen)2CO3](C7H3NO4Cl)·6H2O. Journal of Chemical Sciences, 122 5, 739–750. https://doi.org/10.1007/s12039-010-0062-3
[2] Sharma, R. P., Saini, A., Singh, S., Singh, A., Venugoplan, P., Starynowicz, P., Jezierska, J. (2011). Synthesis, characterization, single crystal X-ray structural studies and packing analyses of two novel copper(II) complexes: [Cu(2-Cl-5-FC7H3O2)2(β-picoline)2(H2O)2] and [Cu(en)2(H2O)2](2-Cl-5-FC7H3O2)2. Journal of Molecular Structure, 988 1, Pages 9-16. https://doi.org/10.1016/j.molstruc.2010.11.052
[3]
Kerzig, C., Wenger, O. S. (2019). Reactivity control of a photocatalytic system by changing the light intensity. Chemical Science, 10(48), 11023–11029. https://doi.org/10.1039/c9sc04584h |
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China Langchem Inc.
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