Methyl 4-chloro-2-formylbenzoate
CAS No.:
1001336-16-8
M. Wt:
198.60300
M. Fa:
C9H7ClO3
InChI Key:
SXBBGDXVOZYMEK-UHFFFAOYSA-N
Appearance:
Solid
Names and Identifiers of Methyl 4-chloro-2-formylbenzoate
CAS Number |
1001336-16-8 |
|---|---|
EC Number |
836-507-6 |
MDL Number |
MFCD25459256 |
IUPAC Name |
methyl 4-chloro-2-formylbenzoate |
InChI |
InChI=1S/C9H7ClO3/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-5H,1H3 |
InChIKey |
SXBBGDXVOZYMEK-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)C1=C(C=C(C=C1)Cl)C=O |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 4-chloro-2-formylbenzoate
Boiling Point |
303.6±27.0 °C(Predicted) |
|---|---|
Density |
1.315±0.06 g/cm3(Predicted) |
Exact Mass |
198.00800 |
H Bond Acceptors |
2 |
H Bond Donors |
0 |
LogP |
1.93910 |
Molecular Formula |
C9H7ClO3 |
Molecular Weight |
198.60300 |
PSA |
43.37000 |
Storage condition |
Inert atmosphere,Room Temperature |
Safety Information of Methyl 4-chloro-2-formylbenzoate
Applications of Methyl 4-chloro-2-formylbenzoate
Methyl 4-chloro-2-formylbenzoate finds applications in various fields:
- Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic molecules, including pharmaceuticals and agrochemicals.
- Material Science: Its derivatives may be used in creating polymers or other materials due to their reactive functional groups.
- Medicinal Chemistry: Potentially useful in developing new drugs due to its biological activity
Interaction Studies of Methyl 4-chloro-2-formylbenzoate
Interaction studies involving methyl 4-chloro-2-formylbenzoate often focus on its reactivity with biological molecules. For example, studies may explore how it interacts with enzymes or receptors relevant to disease pathways. Investigating these interactions could provide insights into its therapeutic potential and mechanisms of action.
Physical sample testing spectrum (NMR) of Methyl 4-chloro-2-formylbenzoate
Cas:4657-56-1
