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Benzoic acid, 4-nitro-, 1,1-dimethylethyl ester(CAS: 19756-72-0)

Benzoic acid, 4-nitro-, 1,1-dimethylethyl ester
CAS Number

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Basic Information

Molecular Formula
C11H13NO4
Molecular Weight
223.22 g/mol

Physical Properties

Boiling Point
328.1°Cat760mmHg
Density
1.182
Flash Point
139.5°C

Chemical Identifiers

SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChIKey
ADMFDTHMUXRMJQ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00969412

FAQ

Benzoic acid, 4-nitro-, 1,1-dimethylethyl ester (CAS: 19756-72-0) is a white solid with a melting point of 73-74°C. It has a molecular weight of approximately 248.22 g/mol. This compound is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. It shows moderate reactivity towards bases and nucleophiles, and it can undergo hydrolysis. This ester is commonly used in organic synthesis and as a precursor in various chemical processes.
Benzoic acid, 4-nitro-, 1,1-dimethylethyl ester (CAS: 19756-72-0) is typically synthesized by esterification of 4-nitrobenzoic acid with dimethyl tert-butyl ether in the presence of a strong acid catalyst like sulfuric acid. The reaction is carried out under reflux, and the product is purified by recrystallization. This process yields a high purity product with good selectivity and moderate to high yield.
Benzoic acid, 4-nitro-, 1,1-dimethylethyl ester (CAS: 19756-72-0) is used in various industries due to its chemical reactivity. It is particularly important in pharmaceuticals for synthesizing intermediates and active pharmaceutical ingredients. It is also used in the production of organic polymers, sensors, and semiconductors as a functional group that can be further modified to achieve specific properties.
When handling Benzoic acid, 4-nitro-, 1,1-dimethylethyl ester (CAS: 19756-72-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation of its vapors. Spills should be handled carefully with appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed information on handling, storage, and disposal. This compound may cause skin and eye irritation, so avoid contact with skin and eyes.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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