CAS 587-65-5

Chloroacetanilide

Description:

Chloroacetanilide, with the CAS number 587-65-5, is an organic compound that belongs to the class of acetanilides. It is characterized by the presence of a chloro group and an acetamide functional group attached to an aniline structure. This compound typically appears as a white to off-white crystalline solid and is known for its moderate solubility in organic solvents such as ethanol and acetone, while being less soluble in water. Chloroacetanilide is primarily used in the synthesis of various pharmaceuticals and agrochemicals, and it serves as an intermediate in organic synthesis. It exhibits properties such as being a potential herbicide and has been studied for its biological activity. As with many chemical substances, it is important to handle chloroacetanilide with care, as it may pose health risks if ingested or inhaled, and appropriate safety measures should be taken during its use and storage.

Formula: C₈H₈ClNO

InChI: InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

InChI key: InChIKey=VONWPEXRCLHKRJ-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-N-phenylacetamide
• Acetamide, 2-chloro-N-phenyl-
• Acetanilide, 2-chloro-
• Acetanilide, α-chloro-
• Alpha-Chloroacetanilide
• Chloracetanilide
• Chloroacetanilide
• N-(2-Chloroacetyl)aniline
• N-(Chloroacetyl)aniline
• N-Phenyl-2-chloroacetamide
• N-Phenyl-2-chloroethanamide
• N-Phenylchloroacetamide
• N1-phenyl-2-chloroacetamide
• NSC 311
• Phenylcarbamoylmethyl chloride
• α-Chloro-N-phenylacetamide
• α-Chloroacetanilide
• ω-Chloroacetanilide

2-Chloro-N-phenylacetamide

CAS: 587-65-5

Formula: C₈H₈ClNO

Purity: 98%

Color and Shape: Solid

Molecular weight: 169.6082

Ref: IN-DA003H2Y

Acetaminophen Impurity 10 (2-Chloroacetanilide)

CAS: 587-65-5

Formula: C₈H₈ClNO

Color and Shape: Off-White Solid

Molecular weight: 169.61

Ref: 4Z-A-0233

N-(Chloroacetyl)aniline

CAS: 587-65-5

N-(Chloroacetyl)aniline

Formula: C₈H₈ClNO

Purity: 97%

Color and Shape: faint beige crystalline solid

Molecular weight: 169.61g/mol

Ref: 54-OR3397

2-Chloro-N-phenylacetamide

Controlled Product

CAS: 587-65-5

Applications 2-Chloro-N-phenylacetamide is used as a reagent in the synthesis of indolylmethylene benzo[h]thiazolo[2,3-b]quinazolinones which exhibit anticancer and antimicrobial activities in vitro.
References Gali, R., et al.: Bioorg. Med. Chem. Lett., 24, 4239 (2014)

Formula: C₈H₈ClNO

Color and Shape: Neat

Molecular weight: 169.03

Ref: TR-C375370

2-Chloro-N-phenylacetamide- 13C6

Controlled Product

CAS: 587-65-5

Applications 2-Chloro-N-phenylacetamide- 13C6 is an intermediate in the synthesis of Diclofenac-13C6 (D436449). Diclofenac-13C6 is a labelled analogue of Diclofenac Acid (D436465), which is a nonsteroidal anti-inflammatory compound and decycloxygenase (COX) inhibitor. Diclofenac-13C6 is also an intermediate in synthesizing Diclofenac-13C6 Sodium Salt (D436453), which is a labelled analogue of Diclofenac Sodium Salt (D436450).
References Yagi, K., et. al.: Biol. Pharm. Bull., 37, 1234 (2014); Kenny, J. R., et al.: J. Med. Chem., 47, 2816 (2004); Sasaki, A., et al.: J. Pharmacol. Sci., 108, 266 (2008); Dalvie, D., et al.: Chem. Res. Toxicol., 22, 357 (2009); Kenny, J. R., et al.: J. Med. Chem., 47, 2816 (2004), Sasaki, A., et al.: J. Pharmacol. Sci., 108, 266 (2008); Dalvie, D., et al.: Chem. Res. Toxicol., 22, 357 (2009)

Formula: C₆C₂H₈ClNO

Color and Shape: Neat

Molecular weight: 175.564

Ref: TR-C375376

2-Chloro-N-phenylacetamide

CAS: 587-65-5

Formula: C₈H₈ClNO

Purity: 98%

Color and Shape: Solid

Molecular weight: 169.61

Ref: 10-F307343

2-Chloro-N-phenylacetamide

CAS: 587-65-5

2-Chloro-N-phenylacetamide (2CPA) is a chemical that is stable in the presence of strong acids, bases, and oxidizing agents. It can be used as an herbicide and has been shown to inhibit plant metabolism by interfering with the synthesis of picolinic acid. 2CPA also binds to proteins, causing inhibition of protein synthesis. This may occur by competitively binding to the enzyme polymerase chain reaction (PCR). 2CPA is metabolized into trifluoroacetic acid and chloroacetanilides in mammals. The detoxification enzymes glutathione S-transferase (GST) and cytochrome P450 can reactivate 2CPA by conjugation with glutathione or methyl ethyl. This detoxification process is known as phase II metabolism.

Formula: C₈H₈NOCl

Purity: Min. 95%

Molecular weight: 169.61 g/mol

Ref: 3D-AAA58765

2-Chloro-N-phenylacetamide

CAS: 587-65-5

Formula: C₈H₈ClNO

Molecular weight: 169.61

Ref: ST-EA-CP-A7017