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

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

Ref: 3B-C2580

2-Chlorobenzoylacetonitrile, 95%

CAS: 40018-25-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

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

Ref: 02-A13611

3-(2-Chlorophenyl)-3-oxopropanenitrile

CAS: 40018-25-5

Formula: C₉H₆ClNO

Purity: 97%

Color and Shape: Solid

Molecular weight: 179.6030

Ref: IN-DA003396

2-Chlorobenzoylacetonitrile

CAS: 40018-25-5

2-Chlorobenzoylacetonitrile

Formula: C₉H₆ClNO

Purity: ≥95%

Color and Shape: yellow solid

Molecular weight: 179.60g/mol

Ref: 54-OR7012

3-(2-Chlorophenyl)-3-oxopropanenitrile

CAS: 40018-25-5

Formula: C₉H₆ClNO

Purity: 97%

Color and Shape: Solid, Powder

Molecular weight: 179.6

Ref: 10-F079248

2-Chlorobenzoylacetonitrile

Controlled Product

CAS: 40018-25-5

Formula: C₉H₆ClNO

Color and Shape: Neat

Molecular weight: 179.60

Ref: TR-C365023

2-Chlorobenzoylacetonitrile, tech

CAS: 40018-25-5

2-Chlorobenzoylacetonitrile, tech

Formula: C₉H₆ClNO

Purity: tech

Molecular weight: 179.60g/mol

Ref: 54-OR31002