- 2-Chloro-4-fluorobenzoic acid
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- $5.00 / 1KG
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2025-09-25
- CAS:2252-51-9
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 2-Chloro-4-fluorobenzoic acid Basic information |
| | 2-Chloro-4-fluorobenzoic acid Chemical Properties |
| Melting point | 181-183 °C (lit.) | | Boiling point | 271.9±20.0 °C(Predicted) | | density | 1.4016 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | 95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to very faintly yellow | | pka | 2.90±0.25(Predicted) | | form | Powder or Flakes | | color | White | | BRN | 1946215 | | InChI | InChI=1S/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11) | | InChIKey | GRPWQLDSGNZEQE-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(F)C=C1Cl | | CAS DataBase Reference | 2252-51-9(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Chloro-4-fluorobenzoic acid(2252-51-9) | | EPA Substance Registry System | Benzoic acid, 2-chloro-4-fluoro- (2252-51-9) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-37/38-41-36/37/38 | | Safety Statements | 26-36/37/39-37/39-36 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 2-Chloro-4-fluorobenzoic acid Usage And Synthesis |
| Chemical Properties | Powder or crystalline or flakes | | Uses | 2-Chloro-4-fluorobenzoic acid was used in the preparation of 2-(2-chloro-4-fluorophenyl)-benzothiazole. | | Application | 2-Chloro-4-fluorobenzoic acid can be used as:
(1) Studies on the preparation, luminescence and thermal properties of lanthanide complexes of 2-chloro-4-fluorobenzoic acid.
(2) Preparation, crystal structure, thermal and fluorescence property studies of rare earth complexes composed with 2,2':6′,2″-tripyridine.
(3) Analysis of charge density of intermolecular interactions between isohalogen (Cl--F) and homohalogen (F--F) molecules in molecular crystals. Attractive intermolecular Cl--F interactions (type II interactions) in 2-chloro-4-fluorobenzoic acid. | | Synthesis | 2-Chloro-4-fluorobenzoic acid is synthesized from m-chloroaniline in four steps. 1) m-Chloroaniline reacts with 2-(trimethylsilyl)ethoxymethyl chloride in the presence of potassium carbonate, potassium iodide, and ionic liquid to give N,N-bis(trimethylsilyl)ethoxymethyl-3-chloroaniline. 2) The product from step 1 reacts with titanium tetrachloride in ionic liquid to yield 4-bis(trimethylsilyl)ethoxymethylamino-2-chlorobenzaldehyde. 3) This aldehyde reacts with hydrogen peroxide and triphenylphosphine rhodium chloride in organic solvent, followed by pressurized hydrogenation with hydrogen. Work-up gives 4-amino-2-chlorobenzoic acid. 4) This acid reacts with hydrogen peroxide in ionic liquid. Potassium fluoride and phosphotungstic heteropoly acid ammonium salt are then added. Work-up yields 2-chloro-4-fluorobenzoic acid. |
| | 2-Chloro-4-fluorobenzoic acid Preparation Products And Raw materials |
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