2-Chloro-3',4'-difluoroacetophenone RC00226

Manufacturer: Hangzhou Royalchem Co.,LTD.

Website:   www.cnroyalchem.com

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

【 Providing a complete set of intermediates and impurities for Ticagrelor 】

Here is a detailed product description for CAS 51336-95-9,  2-Chloro-3',4'-difluoroacetophenone :

1. Product Identification:  *  CAS Registry Number:  51336-95-9 *  Chemical Name:  1-(2-Chloroacetyl)-3,4-difluorobenzene *  Synonyms:  * 2-Chloro-1-(3,4-difluorophenyl)ethanone * 2-Chloro-3',4'-difluoroacetophenone * α-Chloro-3,4-difluoroacetophenone * 3',4'-Difluoro-2-chloroacetophenone * 3,4-Difluorophenacyl chloride *  Molecular Formula:  C₈H₅ClF₂O *  Molecular Weight:  190.58 g/mol

2. Chemical Structure:  * Contains a benzene ring substituted with two fluorine atoms at the meta (3-) and para (4-) positions relative to the acetyl group attachment. * The acetyl group (-C(O)CH₃) is modified at the alpha carbon, where a chlorine atom replaces a hydrogen, resulting in a -C(O)CH₂Cl group (2-chloroacetyl group). 

3. Physical Description:  *  Appearance:  Typically a white to off-white crystalline solid or powder. *  Melting Point:  Approximately 83-87°C (literature/typical supplier range).  [Note: Confirm exact value with specific batch analysis if critical].  *  Boiling Point:  Not commonly specified at ambient pressure; decomposition or boiling typically occurs under reduced pressure.

4. Chemical Properties:  *  Functional Groups:  Aromatic ketone (acetophenone derivative), α-Halo ketone (specifically α-chloro ketone). *  Reactivity:  The α-chloro ketone group is highly reactive, making this compound a versatile  electrophilic synthon  and  alkylating agent . * Prone to nucleophilic substitution (Sₙ2) reactions at the chloromethyl (-CH₂Cl) carbon. Common nucleophiles include amines (to form amides or amino ketones), thiols (to form thioethers), alcohols (to form ethers), azides, cyanides, etc. * Can undergo reactions typical of ketones (e.g., reduction, Grignard additions), though the electron-withdrawing fluorines and chlorine may influence reactivity. * Sensitive to moisture/hydrolysis: The chloride can be slowly displaced by water, potentially forming the corresponding hydroxy ketone (2-Hydroxy-3',4'-difluoroacetophenone) under aqueous conditions or prolonged storage in humid environments. * Sensitivity to heat and strong bases should be considered.

5 . Solubility:  * Soluble in common organic solvents such as dichloromethane (DCM), chloroform, ethyl acetate, acetone, acetonitrile, tetrahydrofuran (THF), and dimethylformamide (DMF). * Generally insoluble or poorly soluble in water.

6 . Storage & Handling:  *  Storage Conditions:  Store in a  cool, dry, well-ventilated place . Keep container tightly closed and protected from moisture. Store under an inert atmosphere (e.g., nitrogen or argon) for long-term stability, especially to minimize hydrolysis. Recommended storage temperature is often  2-8°C (refrigerated)  or below room temperature. *  Shelf Life:  Typically 6 months to 2 years when stored properly under recommended conditions. Monitor for signs of degradation (e.g., discoloration, clumping, presence of liquid indicating hydrolysis).

7 . Safety Information (GHS - General):   [ALWAYS CONSULT THE SPECIFIC SAFETY DATA SHEET (SDS) PROVIDED BY THE SUPPLIER FOR THE BATCH YOU ARE USING]  *  Hazard Statements (Typical):  *  H315:  Causes skin irritation. *  H319:  Causes serious eye irritation. *  H335:  May cause respiratory irritation. *  (Potentially H302/H312/H332):  Harmful if swallowed/in contact with skin/inhaled (depending on specific classification). *  (Potentially H317):  May cause an allergic skin reaction (if sensitizer). *  Precautionary Statements (Typical):  P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501. *  Personal Protective Equipment (PPE):  Wear suitable gloves (e.g., nitrile), chemical safety goggles, lab coat, and ensure adequate ventilation. Use respiratory protection if handling powder or if ventilation is insufficient.

8 . Primary Applications:  *  Organic Synthesis Intermediate:  Its primary value is as a  key building block  in pharmaceutical, agrochemical, and specialty chemical research and development. *  Introduction of 2-(Substituted-amino)acetyl Moieties:  Widely used to react with amines (primary or secondary) to form α-amino ketones. This moiety is common in bioactive molecules. The 3,4-difluorophenyl group provides specific electronic and steric properties. *  Heterocycle Synthesis:  Can serve as a precursor in the synthesis of various heterocyclic compounds (e.g., imidazoles, oxazoles, thiazoles) via reactions with bifunctional nucleophiles. *  Material Science:  Potential intermediate for specialty polymers or ligands. *  Cross-Coupling Reactions:  The aryl chloride or halomethyl group might be amenable to certain metal-catalyzed cross-coupling reactions under specific conditions.