2-Chloro-4-fluorobenzoic acid
- CAS NO.：2252-51-9
- Empirical Formula: C7H4ClFO2
- Molecular Weight: 174.56
- MDL number: MFCD00010615
- EINECS: 218-845-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-05 20:55:42
What is 2-Chloro-4-fluorobenzoic acid?
Chemical properties
Powder or crystalline or flakes
The Uses of 2-Chloro-4-fluorobenzoic acid
2-Chloro-4-fluorobenzoic acid was used in the preparation of 2-(2-chloro-4-fluorophenyl)-benzothiazole.
What are the applications of 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.
Properties of 2-Chloro-4-fluorobenzoic acid
| 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 |
| form | Powder or Flakes |
| pka | 2.90±0.25(Predicted) |
| 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) |
| 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) |
Safety information for 2-Chloro-4-fluorobenzoic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Chloro-4-fluorobenzoic acid
| InChIKey | GRPWQLDSGNZEQE-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(F)C=C1Cl |
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