CAS 99-47-8

2-Chloro-1-(3-nitrophenyl)ethanone

Description:

2-Chloro-1-(3-nitrophenyl)ethanone, with the CAS number 99-47-8, is an organic compound characterized by its chloro and nitro functional groups. It features a chloro substituent on the ethyl carbon adjacent to a carbonyl group, making it a ketone. The presence of the nitrophenyl group introduces significant polarity and reactivity, particularly in electrophilic substitution reactions. This compound typically appears as a yellow crystalline solid and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic aromatic structure. It is often used in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. The compound's reactivity is influenced by the electron-withdrawing nature of the nitro group, which can enhance electrophilic attack at the aromatic ring. Safety precautions should be taken when handling this substance, as it may pose health risks, including irritation to skin and eyes, and potential toxicity if ingested or inhaled.

Formula: C₈H₆ClNO₃

InChI: InChI=1S/C8H6ClNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2

InChI key: InChIKey=LBHUVZXFCGZYDL-UHFFFAOYSA-N

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

Synonyms:

• Acetophenone, 2-chloro-3′-nitro-
• 2-Chloro-3′-nitroacetophenone
• α-Chloro-3′-nitroacetophenone
• Ethanone, 2-chloro-1-(3-nitrophenyl)-
• 2-Chloro-1-(3-nitrophenyl)ethanone