2,3-Difluoro-5-methylbenzoic acid
CAS No.:
1003709-96-3
M. Wt:
172.129
M. Fa:
C8H6F2O2
InChI Key:
PJDCKKOTZDVVOV-UHFFFAOYSA-N
Appearance:
White To Off-White Solid
Names and Identifiers of 2,3-Difluoro-5-methylbenzoic acid
CAS Number |
1003709-96-3 |
|---|---|
MDL Number |
MFCD09835284 |
IUPAC Name |
2,3-difluoro-5-methylbenzoic acid |
InChI |
InChI=1S/C8H6F2O2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H,11,12) |
InChIKey |
PJDCKKOTZDVVOV-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=C(C(=C1)F)F)C(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2,3-Difluoro-5-methylbenzoic acid
Boiling Point |
263.8±35.0 °C at 760 mmHg |
|---|---|
Density |
1.4±0.1 g/cm3 |
Exact Mass |
172.033585 |
Flash Point |
113.3±25.9 °C |
Index of Refraction |
1.512 |
LogP |
2.49 |
Molecular Formula |
C8H6F2O2 |
Molecular Weight |
172.129 |
PSA |
37.30000 |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Safety Information of 2,3-Difluoro-5-methylbenzoic acid
Applications of 2,3-Difluoro-5-methylbenzoic acid
2,3-Difluoro-5-methylbenzoic acid has several applications in:
- Pharmaceutical Development: As a building block for synthesizing bioactive compounds.
- Material Science: In the formulation of fluorinated polymers or coatings that require enhanced chemical resistance.
- Agricultural Chemistry: Potentially used in developing herbicides or pesticides due to its unique chemical properties.
The versatility of this compound makes it valuable across various industrial sectors .
Interaction Studies of 2,3-Difluoro-5-methylbenzoic acid
Interaction studies involving 2,3-difluoro-5-methylbenzoic acid primarily focus on its reactivity with biological macromolecules such as proteins and nucleic acids. Preliminary studies suggest that the compound may interact with enzyme active sites or cellular receptors, potentially influencing metabolic pathways. Further research is needed to elucidate these interactions fully and their implications for therapeutic applications .
Physical sample testing spectrum (NMR) of 2,3-Difluoro-5-methylbenzoic acid
