CAS 1000341-35-4
:Methyl 3-chloro-5-(1,1-dimethylethyl)benzoate
Description:
Methyl 3-chloro-5-(1,1-dimethylethyl)benzoate is an organic compound characterized by its ester functional group, specifically a methyl ester derived from benzoic acid. The presence of a chlorine atom at the 3-position and a tert-butyl group at the 5-position of the aromatic ring contributes to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid with a distinct aromatic odor. It is relatively hydrophobic, indicating low solubility in water but higher solubility in organic solvents. The chlorine substituent can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the tert-butyl group enhances steric hindrance, which can affect the compound's reactivity and interactions with other molecules. Methyl 3-chloro-5-(1,1-dimethylethyl)benzoate may be utilized in organic synthesis, agrochemical formulations, or as an intermediate in the production of other chemical compounds. Safety data should be consulted for handling and potential hazards associated with this substance.
Formula:C12H15ClO2
InChI:InChI=1S/C12H15ClO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3
InChI key:InChIKey=OSMNCWVECZHFFL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C(C)(C)C)=CC(Cl)=C1
Synonyms:- Benzoic acid, 3-chloro-5-(1,1-dimethylethyl)-, methyl ester
- Methyl 3-chloro-5-(1,1-dimethylethyl)benzoate
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