CAS 40018-25-5: 2-Chloro-β-oxobenzenepropanenitrile

Description: 2-Chloro-β-oxobenzenepropanenitrile, also known by its CAS number 40018-25-5, is an organic compound characterized by its unique functional groups, including a chloro substituent, a ketone, and a nitrile. This compound typically appears as a solid or liquid, depending on the specific conditions, and is known for its potential applications in organic synthesis and pharmaceuticals. The presence of the chloro group enhances its reactivity, making it useful in various chemical reactions, such as nucleophilic substitutions. The β-oxobenzene structure indicates that it contains a benzene ring with a ketone functional group adjacent to the nitrile, which can influence its chemical behavior and interactions. Additionally, the compound's polarity and solubility characteristics are influenced by the presence of the nitrile and chloro groups, affecting its behavior in different solvents. Safety data sheets should be consulted for handling and storage guidelines, as compounds with halogen and nitrile functionalities can pose health and environmental risks.

Formula: C₉H₆ClNO

InChI: InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2

InChI key: InChIKey=SBSWHTFHLWSSQS-UHFFFAOYSA-N

SMILES: N#CCC(=O)C=1C=CC=CC1Cl

Synonyms:

• (2-Chlorophenyl)cyanomethyl ketone
• 2-Chloro-β-oxobenzenepropanenitrile
• 3-(2-Chlorophenyl)-3-Oxopropanenitrile
• 3-Oxo-3-(2-chlorophenyl)propanenitrile
• Acetonitrile, (o-chlorobenzoyl)-
• Benzenepropanenitrile, 2-Chloro-Beta-Oxo-
• Benzenepropanenitrile, 2-chloro-β-oxo-
• o-Chloro-ω-cyanoacetophenone
• o-Chlorobenzoylacetonitrile
• o-Chlorophenacyl cyanide

(2-Chlorobenzoyl)acetonitrile

CAS: 40018-25-5

• Formula: C₉H₆ClNO
• Purity: >97.0%(GC)
• Color and Shape: White to Amber powder to crystal
• Molecular weight: 179.60

2-Chlorobenzoylacetonitrile, 95%

CAS: 40018-25-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. …

• Formula: C₉H₆ClNO
• Purity: 95%
• Color and Shape: Cream to yellow to orange to pale brown, Crystals or powder or crystalline powder
• Molecular weight: 179.60

3-(2-Chlorophenyl)-3-oxopropanenitrile

CAS: 40018-25-5

• Formula: C₉H₆ClNO
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 179.603

2-Chlorobenzoylacetonitrile, tech

CAS: 40018-25-5

• Formula: C₉H₆ClNO
• Purity: tech
• Molecular weight: 179.60g/mol

2-Chlorobenzoylacetonitrile

CAS: 40018-25-5

• Formula: C₉H₆ClNO
• Purity: 98% by nmr (Typical Value in Batch COA)
• Color and Shape: yellow solid
• Molecular weight: 179.60g/mol

3-(2-Chlorophenyl)-3-oxopropanenitrile

CAS: 40018-25-5

• Purity: 98.0%
• Color and Shape: Solid, Powder
• Molecular weight: 179.60000610351562

2-Chlorobenzoylacetonitrile

CAS: 40018-25-5

• Formula: C₉H₆ClNO
• Color and Shape: Neat
• Molecular weight: 179.60

2-Chlorobenzoyl acetonitrile

CAS: 40018-25-5

2-Chlorobenzoyl acetonitrile is an oxime that can be synthesized by the base-catalyzed condensation of benzaldehyde …

• Formula: C₉H₆ClNO
• Purity: Min. 95%
• Molecular weight: 179.6 g/mol