4-(Methylamino)-3-nitrobenzoyl chloride

Basic Information

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CAS Number

82357-48-0

Molecular Formula

C8H7ClN2O3

Molecular Weight

214.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.458±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CNc1ccc(cc1N(=O)=O)C(=O)Cl

InChI

InChI=1S/C8H7ClN2O3/c1-10-6-3-2-5(8(9)12)4-7(6)11(13)14/h2-4,10H,1H3

InChIKey

LIRZLGQEZXAOQR-UHFFFAOYSA-N

LogP

2.0155

Topological Polar Surface Area

72.24 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

4-(methylamino)-3-nitrobenzoyl chloride
C3-NITRO-4-METHYLAMINO-BENZOYLCHLORIDE
3-Nitro-4-methylamino-benzoylchlorid
3-NITRO-4-METHYLAMINO-BENZOYLCHLORIDE
4-(METHYLAMINO)-3-NITRO-BENZOYL CHLORIDE
4-methylamino-3-nitro-benzoic acid chloride
Benzoyl chloride,4-(methylamino)-3-nitro

MDL Number

MFCD09833622

FAQ

What are the physical and chemical properties of 4-(Methylamino)-3-nitrobenzoyl chloride (CAS: 82357-48-0)?

4-(Methylamino)-3-nitrobenzoyl chloride is a white crystalline solid with a molecular weight of approximately 287.07 g/mol. It exhibits low water solubility and good solubility in organic solvents such as dichloromethane and acetonitrile. Chemically, it is reactive, particularly towards nucleophiles, and can undergo substitution reactions and nitro reduction.

How is 4-(Methylamino)-3-nitrobenzoyl chloride (CAS: 82357-48-0) typically synthesized?

4-(Methylamino)-3-nitrobenzoyl chloride is synthesized by reacting 4-(methylamino)-3-nitrobenzoic acid with thionyl chloride in the presence of a catalytic amount of organic base, such as pyridine, at room temperature. The reaction yields the chloride in a high yield, with good regioselectivity.

What industries use 4-(Methylamino)-3-nitrobenzoyl chloride (CAS: 82357-48-0)?

4-(Methylamino)-3-nitrobenzoyl chloride is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in the polymer industry as a monomer for the production of functional polymers. Additionally, it is utilized in the electronics industry for the fabrication of sensors and semiconductors.

What precautions should be taken when handling 4-(Methylamino)-3-nitrobenzoyl chloride (CAS: 82357-48-0)?

When handling 4-(Methylamino)-3-nitrobenzoyl chloride, it is essential to wear protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be properly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.