4-Methoxybenzoyl chloride
Names and Identifiers of 4-Methoxybenzoyl chloride
CAS Number |
100-07-2 |
|---|---|
EC Number |
202-816-4 |
IUPAC Name |
4-methoxybenzoyl chloride |
InChI |
InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
InChIKey |
MXMOTZIXVICDSD-UHFFFAOYSA-N |
Canonical SMILES |
COC1=CC=C(C=C1)C(=O)Cl |
UNII |
TV6DMQ9451 |
UN Number |
1729 |
Physical and chemical properties of 4-Methoxybenzoyl chloride
Boiling Point |
262-263 °C |
|---|---|
BRN |
471918 |
Decomposition |
When heated to decomposition it emits toxic fumes of /hydrogen chloride/ and may explode. |
Density |
1.261 g/cu cm at 20 °C |
Exact Mass |
170.013458 |
Flash Point |
87.8±0.0 °C |
Index of Refraction |
Index of refraction = 1.580 at 20 °C |
LogP |
log Kow = 1.52 (est) |
Melting Point |
22 °C |
Merck |
14,673 |
Molecular Formula |
C8H7ClO2 |
Molecular Weight |
170.593 |
Odor |
Sharp, penetrating. |
PSA |
26.30000 |
Sensitivity |
Moisture Sensitive |
Stability |
Stable, but reacts violently with water. Ensure no moisture enters the container in which this material is stored, to prevent pressure build-up. Incompatible with water, moisture, strong bases, strong oxidizing agents. |
Storage condition |
2-8°C |
Vapour Pressure |
0.014 mm Hg at 25 °C (est) |
Water Solubility |
It reacts in water. |
Safety Information of 4-Methoxybenzoyl chloride
Applications of 4-Methoxybenzoyl chloride
4-Methoxybenzoyl chloride finds applications in various fields:
- Pharmaceuticals: As an intermediate in the synthesis of biologically active compounds, particularly those with anti-cancer properties.
- Agrochemicals: Used in the development of herbicides and pesticides due to its ability to modify aromatic structures effectively.
- Organic Synthesis: Employed in synthesizing various organic compounds, including esters and amides, which are essential in producing fragrances and dyes.
Interaction Studies of 4-Methoxybenzoyl chloride
Studies on 4-methoxybenzoyl chloride's interactions primarily focus on its reactivity with nucleophiles and bases. Its exothermic reactions with amines suggest that it can be effectively used to form various amide derivatives, which may possess unique biological properties. Additionally, understanding its hydrolysis behavior helps assess its stability and compatibility in different environments.
Biological Activity of 4-Methoxybenzoyl chloride
Research indicates that 4-methoxybenzoyl chloride may exhibit biological activities relevant to medicinal chemistry. It has been utilized in synthesizing stilbene and dihydrostilbene derivatives, which have shown potential as anti-cancer agents. The methoxy group is believed to enhance the lipophilicity of these compounds, potentially improving their bioavailability and efficacy in biological systems.
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