CAS 121-90-4

3-Nitrobenzoyl chloride

Description:

3-Nitrobenzoyl chloride, with the CAS number 121-90-4, is an aromatic acyl chloride characterized by the presence of a nitro group (-NO2) positioned at the meta position relative to the acyl chloride functional group (-C(=O)Cl) on a benzene ring. This compound typically appears as a yellow to brownish liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly in acylation reactions, where it can introduce the 3-nitrobenzoyl group into various substrates. The presence of the electron-withdrawing nitro group enhances the electrophilicity of the carbonyl carbon, making it more susceptible to nucleophilic attack. 3-Nitrobenzoyl chloride is soluble in organic solvents such as dichloromethane and ether but is generally insoluble in water. It is important to handle this compound with care, as it can be corrosive and may cause irritation to the skin, eyes, and respiratory system. Proper safety precautions, including the use of personal protective equipment, are essential when working with this chemical.

Formula: C₇H₄ClNO₃

InChI: InChI=1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H

InChI key: InChIKey=NXTNASSYJUXJDV-UHFFFAOYSA-N

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

Synonyms:

• 3-Nitrobenzoic Acid, Chloride
• 3-Nitrobenzoylchlorid
• Benzoyl chloride, 3-nitro-
• Benzoyl chloride, m-nitro-
• Chlorure de 3-nitrobenzoyle
• Cloruro De 3-Nitrobenzoilo
• M-Nitrobenzoyl Chloride
• Nsc 5380
• 3-Nitrobenzoyl chloride

3-Nitrobenzoyl Chloride

CAS: 121-90-4

Formula: C₇H₄ClNO₃

Purity: >98.0%(GC)(T)

Color and Shape: White or Colorless to Yellow powder to lump to clear liquid

Molecular weight: 185.56

Ref: 3B-N0174

3-Nitrobenzoyl chloride, 98%

CAS: 121-90-4

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Formula: C₇H₄ClNO₃

Purity: 98%

Color and Shape: Fused solid, White to pale yellow to pale brown

Molecular weight: 185.56

Ref: 02-A10579

3-Nitrobenzoyl chloride

CAS: 121-90-4

3-Nitrobenzoyl chloride

Formula: C₇H₄ClNO₃

Purity: 97%

Color and Shape: off white to light yellow fused solid

Molecular weight: 185.56g/mol

Ref: 54-OR5437

3-Nitrobenzoyl Chloride

Controlled Product

CAS: 121-90-4

Applications 3-Nitrobenzoyl Chloride is an useful building block reagent in the preparation of organic compounds of research interest.
References Guimond, N, et. al.: J. Am. Chem. Soc., 132, 6908 (2010);Mortimer, C., et. al.: J. Med. Chem., 49, 179 (2006);Shiradkar, M., et. al.: Bioorg. Med. Chem., 15, 3997 (2007)

Formula: C₇H₄ClNO₃

Color and Shape: Neat

Molecular weight: 185.56

Ref: TR-N493615