Methyl 3-nitrobenzoate

Pharmaceutical Materials 2025-03-02

CAS Number: 618-95-1

Molecular Formula: C8H7NO4

Molecular Weight: 181.15 g/mol

Appearance: White acicular crystal or pale yellow powder

Usage: It is commonly used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, dyes, and agrochemicals.

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Category Details
Chemical Name Methyl 3-nitrobenzoate
CAS Number 618-95-1
Molecular Formula C8H7NO4
Molecular Weight 181.145 g/mol
Synonyms 3-Nitrobenzoic acid methyl ester; Methyl-3-nitrobenzoate; Meta-nitrobenzoic acid methyl ester
Appearance White or beige crystalline powder
Melting Point 78-80°C
Boiling Point 279-284.7°C (at 760 mmHg)
Density 1.3±0.1 g/cm3 (rough estimate: 1.4283)
Solubility Insoluble in water; soluble in organic solvents such as ethanol, ether, and methanol
Refractive Index 1.5468 (estimate)
Flash Point 136.8-279°C
Uses Acts as an intermediate in organic synthesis.
Can undergo various chemical reactions such as reduction and substitution to produce valuable compounds.
Production Method Prepared by the esterification of 3-nitrobenzoic acid with methanol in the presence of an acid catalyst.
Stability Stable; incompatible with strong oxidizing agents and strong bases.
Storage Conditions Store in a cool, dry place, away from oxidants and moisture.
Keep the container tightly closed.
Safety Information May cause skin and eye irritation.
Handle with care and wear appropriate personal protective equipment.
Avoid ingestion and contact with mucous membranes.