3,5-Difluorobenzoic acid
- CAS NO.：455-40-3
- Empirical Formula: C7H4F2O2
- Molecular Weight: 158.1
- MDL number: MFCD00010323
- EINECS: 610-261-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 3,5-Difluorobenzoic acid?
Chemical properties
off-white needles and chunks
The Uses of 3,5-Difluorobenzoic acid
3,5-Difluorobenzoic Acid can be used as reactant/reagent in Rh(III)-catalyzed regioselective heterocyclization of benzoic acids with acrylates to give phthalides with water as the solvent
General Description
3,5-Difluorobenzoic acid forms dimers that were stabilized by hydrogen bonds between carboxyl groups. The on-line determination of 3,5-difluorobenzoic acid in water was studied using membrane inlet mass spectrometry with in-membrane preconcentration.
Properties of 3,5-Difluorobenzoic acid
| Melting point: | 121-123 °C (lit.) |
| Boiling point: | 243.2±20.0 °C(Predicted) |
| Density | 1.3486 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| form | Solid |
| pka | 3.52±0.10(Predicted) |
| color | White to Pale Yellow |
| BRN | 1940680 |
| CAS DataBase Reference | 455-40-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 3,5-difluoro- (455-40-3) |
Safety information for 3,5-Difluorobenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319: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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. 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 3,5-Difluorobenzoic acid
| InChIKey | GONAVIHGXFBTOZ-UHFFFAOYSA-N |
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