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4-Methyl-3-nitrobenzoic acid(CAS: 96-98-0)

4-Methyl-3-nitrobenzoic acid
CAS Number

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Basic Information

Molecular Formula
C8H7NO4
Molecular Weight
181.15 g/mol

Physical Properties

Melting Point
188.0 to 192.0 deg-C
Boiling Point
314.24°C (rough estimate)
Density
1.4283 (rough estimate)
Flash Point
351.4 °C at 760 mmHg
Water Solubility
<0.1 g/100 mL at 22 ºC

Chemical Identifiers

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

Database References

MDL Number
MFCD00007174
Beilstein Registry Number
1874411

FAQ

4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) is an organic compound with the chemical formula C8H7NO4. It features a benzene ring substituted with a methyl group, a nitro group, and a carboxylic acid group. This compound is known for its acidic properties and is commonly used in chemical synthesis. Its molecular structure makes it relevant in pharmaceutical and industrial applications.
4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) is primarily used in pharmaceutical research as a precursor for drug development. It also serves in the synthesis of dyes, pesticides, and organic chemicals. Additionally, it is employed in industrial processes for creating intermediates and in academic studies for functional group modifications. Its versatility stems from its reactivity and structural features.
4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) requires careful handling due to its potential toxicity. It may cause skin and eye irritation, and inhalation or ingestion can lead to adverse effects. Safety standards emphasize the use of protective gear, such as gloves and goggles, and proper ventilation. Always follow OSHA guidelines and consult safety data sheets (SDS) for handling precautions.
4-Methyl-3-nitrobenzoic acid (CAS: 96-98-0) should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container, preferably made of glass or polyethylene, to maintain stability. Storage conditions should avoid temperatures above 25°C and ensure proper ventilation to prevent degradation or hazardous reactions.

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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