3-Nitrobenzoic acid
Synonyms:3-nitrobenzoic acid;3-nitrobenzoic acid, sodium salt;meta-nitrobenzoate
Chemical Property of 3-Nitrobenzoic acid
● Appearance/Colour:light yellow crystals
● Vapor Pressure:3.26E-05mmHg at 25°C
● Melting Point:139-142 °C
● Refractive Index:1.6280 (estimate)
● Boiling Point:340.7 °C at 760 mmHg
● PKA:3.47(at 25℃)
● Flash Point:157.5 °C
● PSA：83.12000
● Density:1.468 g/cm3
● LogP:1.81620
● Storage Temp.:Storage temperature: no restrictions.
● Solubility.:water: soluble3g/L at 25°C
● Water Solubility.:<0.01 g/100 mL at 18℃
● XLogP3:1.8
● Hydrogen Bond Donor Count:1
● Hydrogen Bond Acceptor Count:4
● Rotatable Bond Count:1
● Exact Mass:167.02185764
● Heavy Atom Count:12
● Complexity:198
Purity/Quality
99.0% min *data from raw suppliers
m-NitrobenzoicAcid *data from reagent suppliers
Safty Information
● Pictogram(s):Xi,Xn
● Hazard Codes:Xn,Xi
● Statements:22-36/37-33-36/37/38
● Safety Statements:26-24/25
MSDS Files
SDS file from LookChem
Useful
● Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
● Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
● Uses3-Nitrobenzoic acid was used to investigated the role of ozone as additional decomposition or finishing reagent in the degradation of o-, m- and p-nitobenzoic acids
Detailed Introduction
3-Nitrobenzoic acid is a chemical compound with the molecular formula C7H5NO4. It is also known as m-nitrobenzoic acid. Here are some key points about 3-Nitrobenzoic acid:
Psical properties: 3-Nitrobenzoic acid appears as yellow crystals or powder. It has a molecular weight of 167.12 grams per mole. It has a melting point of about 140-142 °C and is sparingly soluble in water.
Chemical properties: 3-Nitrobenzoic acid contains a nitro group (-NO2) attached to the benzene ring. It is an aromatic carboxylic acid. The presence of the nitro group makes it an electron-withdrawing group, affecting the reactivity of the molecule.
Synthesis: 3-Nitrobenzoic acid can be synthesized through various methods. One common method is the nitration reaction of benzoic acid, where a nitro group (-NO2) is introduced at the meta position (3-position) of the benzene ring.
Applications: 3-Nitrobenzoic acid is widely used as an intermediate in the synthesis of pharmaceuticals, dyes, agrochemicals, and other chemicals. It can undergo reactions like reduction, esterification, or substitution to yield different compounds.
Safety precautions: Like any chemical compound, proper safety measures should be taken when handling 3-Nitrobenzoic acid. It may cause skin and eye irritation, and inhalation or ingestion can be harmful. It is recommended to use appropriate protective equipment, work in a well-ventilated area, and follow safety guidelines for storage and disposal.
Overall, 3-Nitrobenzoic acid is an important chemical compound used in various industrial applications due to its versatile reactivity and use as an intermediate in organic synthesis.
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