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Methyl 2-methyl-5-nitrobenzoate(CAS: 77324-87-9)

Methyl 2-methyl-5-nitrobenzoate
CAS Number

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Basic Information

Molecular Formula
C9H9NO4
Molecular Weight
195.17 g/mol

Physical Properties

Melting Point
67.0 to 71.0 deg-C
Boiling Point
305.4°C at 760 mmHg
Flash Point
141.7℃

Chemical Identifiers

SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
InChIKey
TVGKPVDDCDQBRC-UHFFFAOYSA-N

Database References

MDL Number
MFCD00230865

FAQ

Methyl 2-methyl-5-nitrobenzoate is a crystalline solid with a molecular weight of approximately 226.16 g/mol. It has a melting point of 66-68°C and a boiling point of 308-310°C. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is a reactive compound, particularly towards nucleophiles in substitution reactions.
Methyl 2-methyl-5-nitrobenzoate is typically synthesized via nitration of 2-methylbenzoic acid. The process involves the reaction of 2-methylbenzoic acid with nitric acid (HNO3) in the presence of sulfuric acid (H2SO4) as a catalyst. The nitration yields the desired product with good selectivity and moderate to high yield depending on the reaction conditions.
Methyl 2-methyl-5-nitrobenzoate finds application in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also used in the production of dyes and pigments, and as a component in some polymer formulations. Additionally, it is utilized in the development of organic sensors and semiconductors.
When handling Methyl 2-methyl-5-nitrobenzoate, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled by neutralizing the compound with a suitable reagent before cleanup. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines and emergency procedures.

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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