CAS 16588-06-0

4-Chloro-3-nitrobenzamide

Description:

4-Chloro-3-nitrobenzamide is an organic compound characterized by the presence of a benzene ring substituted with both a chloro group and a nitro group, along with an amide functional group. Its molecular structure features a chlorine atom at the para position and a nitro group at the meta position relative to the amide group. This compound is typically a solid at room temperature and is known for its potential applications in pharmaceuticals and agrochemicals due to its reactivity and ability to participate in various chemical reactions. It is generally soluble in organic solvents but may have limited solubility in water. The presence of both electron-withdrawing groups (the nitro and chloro substituents) influences its reactivity, making it a useful intermediate in synthetic organic chemistry. Safety precautions should be observed when handling this compound, as it may pose health risks, including irritation to the skin and eyes, and potential toxicity if ingested or inhaled.

Formula: C₇H₅ClN₂O₃

InChI: InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)

InChI key: InChIKey=CGXRJCDXGJRBHV-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(C(N)=O)=CC=C1Cl

Synonyms:

• 3-Nitro-4-chlorobenzamide
• 4-Chlor-3-nitrobenzamid
• 4-Chlor-3-nitrobenzamid [Czech]
• Benzamide, 4-chloro-3-nitro-
• Brn 0645210
• Nsc 127825
• 4-Chloro-3-nitrobenzamide

4-Chloro-3-nitrobenzamide

CAS: 16588-06-0

Formula: C₇H₅ClN₂O₃

Purity: >98.0%(GC)

Color and Shape: White to Yellow to Green powder to crystal

Molecular weight: 200.58

Ref: 3B-C3176

Benzamide, 4-chloro-3-nitro-

CAS: 16588-06-0

Formula: C₇H₅ClN₂O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 200.5792

Ref: IN-DA001WDX

4-Chloro-3-nitrobenzamide

CAS: 16588-06-0

4-Chloro-3-nitrobenzamide

Purity: 98%

Molecular weight: 200.58g/mol

Ref: 54-OR96152

4-Chloro-3-nitrobenzamide

CAS: 16588-06-0

4-Chloro-3-nitrobenzamide (4CNBA) is a potent inducer of hepatic drug metabolizing enzymes. It reacts with methyl cinnamate to form the 4-chloro-3-nitrobenzamide methyl ester and chloride ions. This reaction is catalyzed by copper, which binds to the 4CNBA molecule. The chloride ion then displaces water from the ester, producing a nitroso intermediate. This intermediate breaks down into an unstable nitrite, which in turn reacts with hydrogen peroxide to form a hydroxylamine intermediate. Hydroxylamine can then react with sulfhydryl groups to produce reactive thiols that are responsible for the induction of detoxification enzymes in the liver.
4CNBA has been shown to be toxic at high concentrations and is rapidly detoxified by Phase II enzymes such as glutathione S transferase, UDP glucuronosyltransferase, and N-acetyl

Formula: C₇H₅ClN₂O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 200.58 g/mol

Ref: 3D-FC70253

4-Chloro-3-nitrobenzamide

CAS: 16588-06-0

Formula: C₇H₅ClN₂O₃

Purity: 98%

Molecular weight: 200.58

Ref: 10-F224029