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methyl 5-chloro-2-fluorobenzoate
$300.00
CAS No.: 57381-36-9
Catalog No.: 200445
Purity: 95%
MF: C8H6ClFO2
MW: 188.585
Storage: 2-8 degree Celsius
SMILES: ClC=1C=CC(=C(C(=O)OC)C1)F
Catalog No.: 200445
Purity: 95%
MF: C8H6ClFO2
MW: 188.585
Storage: 2-8 degree Celsius
SMILES: ClC=1C=CC(=C(C(=O)OC)C1)F
CAS NO.: 57381-36-9;methyl 5-chloro-2-fluorobenzoate. PROPERTIES: This polyhalogenated aromatic ester presents as colorless liquid with molecular weight approximately 198.6 g/mol, combining chlorofluorobenzene core with methyl ester group. The methyl 5-chloro-2-fluorobenzoate exhibits limited aqueous solubility but good dissolution in ether and THF. Stability testing reveals vulnerability to nucleophilic aromatic substitution and base-catalyzed hydrolysis, necessitating storage at 2-8 degree Celsius in narrow-mouthed brown bottles. Safety measures require using PTFE-lined septa and maintaining transfer lines below 25 C. Skin absorption may cause localized vasoconstriction requiring warming of affected areas. Inhalation may induce hypocalcemia; treatment includes calcium gluconate administration. Eye exposure requires chelation inhibitors and immediate ophthalmology consultation. Waste should be incinerated at >1200 C to prevent dioxin formation. APPLICATIONS: The methyl 5-chloro-2-fluorobenzoate functions as a key intermediate in the synthesis of benzodiazepine derivatives and serotonin receptor modulators. Its dichlorofluoro substitution pattern provides opportunities for directed metalation and cross-coupling reactions. The compound serves as a building block for creating renin inhibitors with improved binding affinity. Additionally, it undergoes Buchwald-Hartwig amination for constructing anilinic systems. Research teams utilize it as a starting material for creating fluorophores with blue-shifted emission. In materials science, its electron-deficient aromatic system enables creation of high-performance liquid crystal displays with improved response times.
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