CAS 1025718-86-8
:1,1-Dimethylethyl 4-chloro-3-hydroxybenzoate
Description:
1,1-Dimethylethyl 4-chloro-3-hydroxybenzoate, identified by its CAS number 1025718-86-8, is an organic compound characterized by the presence of a benzoate ester functional group. This compound features a 4-chloro substituent and a 3-hydroxy group on the benzene ring, which contribute to its chemical reactivity and potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and interaction with biological membranes. The hydroxyl group may participate in hydrogen bonding, affecting its physical properties such as boiling point and solubility in polar solvents. Additionally, the chlorine atom can introduce unique electronic effects, impacting the compound's reactivity and stability. Overall, this compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its structural features that could confer specific biological activities or functionalities.
Formula:C11H13ClO3
InChI:InChI=1S/C11H13ClO3/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6,13H,1-3H3
InChI key:InChIKey=LAUXAGDOSABAHL-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(O)=C(Cl)C=C1
Synonyms:- Benzoic acid, 4-chloro-3-hydroxy-, 1,1-dimethylethyl ester
- 1,1-Dimethylethyl 4-chloro-3-hydroxybenzoate
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