4-Methylbenzoyl Chloride is an aromatic acyl chloride used as an acylating intermediate in organic synthesis. It is identified by CAS No. 874-60-2, molecular formula C₈H₇ClO, and molecular weight 154.59 g/mol. The molecule contains a para-methyl-substituted benzoyl group and an acid chloride functional group, allowing controlled introduction of this aromatic acyl structure into downstream compounds.
Key Technical Parameters
|
Parameter |
Value |
|
CAS No. |
874-60-2 |
|
Molecular Formula |
C₈H₇ClO |
|
Molecular Weight |
154.59 g/mol |
|
EC No. |
212-864-8 |
|
Exact Mass |
154.0185 Da |
|
XLogP3 |
3.3 |
|
Hydrogen Bond Donor Count |
0 |
|
Hydrogen Bond Acceptor Count |
1 |
Product Selection
Assay
Define the required assay range before production and quotation. The selected specification should match the stoichiometric requirements and impurity tolerance of the downstream synthesis.
Identity
CAS number, molecular formula, product name and analytical identification should remain consistent across the specification, COA and SDS.
Impurity Profile
For multi-step synthesis, agreed impurity limits help control the material contribution to subsequent reaction stages and purification.
Key Product Advantages
Direct Acylation
The acid chloride functionality provides a direct reaction site for conversion with suitable amines, alcohols and related nucleophiles.
Defined Aromatic Group
The para-methylbenzoyl structure introduces a specific substituted aromatic acyl group without requiring formation of the acid chloride in the downstream process.
Flexible Intermediate Use
The material can be incorporated into synthesis routes leading to aromatic amides, esters and related acylated compounds.
Application Areas
Pharmaceutical Intermediates
Used in synthetic routes requiring incorporation of a 4-methylbenzoyl group into an intermediate or target structure.
Agrochemical Intermediates
Suitable for reaction sequences where an aromatic acid chloride is required as an acylating reagent.
Specialty Chemicals
Used in the preparation of substituted aromatic compounds through controlled acylation reactions.
Reaction Considerations
Acylation Site
The carbonyl chloride group is the principal reactive site. Reaction with suitable nucleophiles forms the corresponding acylated product.
Moisture Control
Acid chlorides can undergo hydrolysis in the presence of water. Dry handling, closed transfer and controlled reaction conditions should therefore be maintained.
Process Parameters
Addition rate, reaction temperature, solvent selection and molar ratio should be established according to the specific synthesis route rather than treated as fixed product parameters.
Quality Control
Identity Testing
Analytical identification should confirm that the material corresponds to the specified chemical structure.
Assay Testing
Quantitative assay provides the basis for confirming the concentration of the target compound against the agreed specification.
Batch Records
Each production lot should be traceable to its analytical results and corresponding COA. Additional testing can be defined when required by the application.
Packaging and Storage
Packaging
Use sealed, chemically compatible containers that limit exposure to atmospheric moisture during storage and handling.
Storage
Store in a cool, dry and well-ventilated area with containers kept tightly closed.
Process Handling
Protect the material from moisture during weighing, transfer and reaction charging. Handling procedures should follow the applicable SDS and site requirements.
Procurement Information
Required Specification
Include target assay, impurity limits and any application-specific analytical requirements.
Order Quantity
State the required quantity and expected purchasing frequency when requesting a quotation.
Technical Documents
Specify required documents such as COA, SDS and product specification before order confirmation.
Supply Details
Provide destination, packaging requirement and preferred delivery schedule so the required supply configuration can be assessed accurately.
FAQ
Q: What is the CAS number of 4-Methylbenzoyl Chloride?
A: The CAS number is 874-60-2.
Q: What is the molecular formula?
A: The molecular formula is C₈H₇ClO.
Q: What is the molecular weight?
A: The molecular weight is 154.59 g/mol.
Q: What is 4-Methylbenzoyl Chloride used for?
A: It is used as an aromatic acylating intermediate in the preparation of amides, esters and other substituted aromatic compounds.
Q: What should be specified when requesting a quotation?
A: Provide the required assay, impurity limits, quantity, packaging, destination and documentation requirements. The intended application can also be included when application-specific specifications are required.
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