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Methyl 3-cyano-4-fluorobenzoate

CAS 676602-31-6 · Fluorinated Compound · 3 functional traits · cGMP compliant · Ships from USA in 2-3 days

Fluorinated Compound

Methyl 3-cyano-4-fluorobenzoate

Fluorinated PharmaceuticalDiagnostic ImagingAgrochemicalMaterials SciencePolymerFine Chemical
CAS Number 676602-31-6
Category Fluorinated Compound · Ester
Origin USA
Compliance cGMP

Questions? Contact our chemistry team:

chemistry@chem-contract.com | +1 (714) 732-8549
In stock — typically ships within 2-3 business days

About Methyl 3-cyano-4-fluorobenzoate

Methyl 3-cyano-4-fluorobenzoate (CAS Number: 676602-31-6) is a fluorine-containing building block with enhanced metabolic stability. ChemContract Research supplies this moderate-complexity compound in high purity from our Huntington Beach, California facility, ensuring consistent quality and reliable domestic delivery throughout the United States.

The carbon–fluorine bond is the strongest single bond to carbon (485 kJ/mol). This exceptional stability underpins the "fluorine scan" strategy used in medicinal chemistry to optimize drug candidates. Ester hydrolysis by cellular esterases is the most commonly exploited prodrug activation mechanism — enabling drugs that cannot cross biological membranes as free acids. The nitrile group is a bioisostere for both carboxylic acids and amides, and has emerged as a covalent warhead in next-generation kinase inhibitors like saxagliptin and neratinib.

Primary applications include metabolic blocking strategy — fluorine substitution to improve drug half-life and prodrug development to mask carboxylic acids and improve membrane permeability. This compound serves researchers and manufacturers across the pharmaceutical, diagnostic imaging, agrochemical sectors. Whether you require Methyl 3-cyano-4-fluorobenzoate for early-stage research, process development, or commercial-scale production, ChemContract Research offers flexible ordering from milligram to multi-kilogram quantities with custom synthesis options and full batch documentation including Certificates of Analysis (CoA) and Safety Data Sheets.

Functional Groups: Nitrile (–C≡N)Ester (–COOR)Fluorine (C–F)

Fluorinated Compound Applications & Target Industries

How Methyl 3-cyano-4-fluorobenzoate is used across pharmaceutical and diagnostic imaging sectors

01

Metabolic blocking strategy — fluorine substitution to improve drug half-life

02

Prodrug development to mask carboxylic acids and improve membrane permeability

03

Hydrolysis to carboxylic acids or amides under controlled conditions

04

PET radiotracer precursor ([¹⁸F]-labeling) for diagnostic imaging

05

Protecting group for hydroxyl functionalities (acetate, benzoate)

06

Click chemistry precursor for tetrazole formation (azide–nitrile cycloaddition)

Target Industries: PharmaceuticalDiagnostic ImagingAgrochemicalMaterials SciencePolymerFine Chemical

Methyl 3-cyano-4-fluorobenzoate Specifications

Detailed specifications for this fluorinated compound, including purity, molecular weight, and analytical data are available upon request. Every batch from ChemContract Research includes:

  • Certificate of Analysis (CoA) with purity verification
  • HPLC, NMR, and/or mass spectrometry characterization data
  • Material Safety Data Sheet (MSDS/SDS)
  • Batch-specific documentation and lot traceability
  • Custom analytical testing available on request
Request Full Specifications

Quick Reference

Compound Name Methyl 3-cyano-4-fluorobenzoate
Type Fluorinated Compound
Category Fluorinated Compound · Ester
Purity ≥95% (custom grades available)
Complexity Moderate (3 functional groups, 0 rings)
Compliance cGMP
Packaging mg to kg scale

Storage & Handling for Fluorinated Compounds

Handling Guidelines

Handle with care in a well-ventilated fume hood. Some fluorinated compounds may release HF upon decomposition. Use chemical-resistant gloves. Some esters are volatile and flammable. Handle in a well-ventilated area. Keep away from ignition sources. Some nitriles may release HCN upon decomposition. Handle in a well-ventilated fume hood with a cyanide antidote kit accessible.

Storage Conditions

Store at recommended temperature in a tightly sealed container. Protect from moisture, heat, and incompatible materials. Store at room temperature in a tightly sealed container away from heat and open flame. Store in a cool, dry, well-ventilated area. Keep tightly sealed and away from acids and strong bases.

Why Buy Methyl 3-cyano-4-fluorobenzoate From ChemContract?

Quality Assured

Every batch of Methyl 3-cyano-4-fluorobenzoate is produced under cGMP conditions with full CoA documentation, HPLC purity verification, and lot traceability.

Fast USA Shipping

Ship from our Huntington Beach, CA facility with 2-3 business day domestic delivery. No import delays, no customs fees, no tariff surprises.

Custom Synthesis

Need a specific grade, quantity, or derivative of Methyl 3-cyano-4-fluorobenzoate? Our team of PhD chemists can develop custom synthesis solutions for your exact requirements.

Frequently Asked

Common questions about Methyl 3-cyano-4-fluorobenzoate

What is Methyl 3-cyano-4-fluorobenzoate used for? +

Methyl 3-cyano-4-fluorobenzoate is a fluorine-containing building block with enhanced metabolic stability used primarily in the pharmaceutical and diagnostic imaging industries. Key applications include metabolic blocking strategy — fluorine substitution to improve drug half-life and prodrug development to mask carboxylic acids and improve membrane permeability.

Where can I buy Methyl 3-cyano-4-fluorobenzoate in the USA? +

ChemContract Research is a trusted USA-based supplier of Methyl 3-cyano-4-fluorobenzoate. We offer competitive pricing, fast domestic shipping from our Huntington Beach, California facility, and full quality documentation including Certificates of Analysis (CoA). Request a quote at chemistry@chem-contract.com or call +1 (714) 732-8549.

What purity levels are available for Methyl 3-cyano-4-fluorobenzoate? +

ChemContract Research supplies Methyl 3-cyano-4-fluorobenzoate in multiple purity grades: ≥95% standard grade, ≥97% high-purity grade, and ≥99% ultra-high-purity grade depending on application requirements. We can also provide custom purity grades through our synthesis capabilities. Contact us for specific purity information and CoA documentation.

Can ChemContract synthesize Methyl 3-cyano-4-fluorobenzoate in custom quantities? +

Yes. ChemContract Research offers custom synthesis services for Methyl 3-cyano-4-fluorobenzoate from milligram to multi-kilogram scale. Our cGMP-compliant facilities and experienced chemists can accommodate custom specifications, packaging requirements, and delivery timelines. Contact our team to discuss your project.

Why is fluorine important in Methyl 3-cyano-4-fluorobenzoate? +

The fluorine atom(s) in Methyl 3-cyano-4-fluorobenzoate confer several advantages in drug design: increased metabolic stability due to the strong C–F bond (485 kJ/mol), enhanced lipophilicity for improved membrane permeability, and potential for favorable electrostatic interactions with biological targets. These properties make fluorinated compounds like Methyl 3-cyano-4-fluorobenzoate valuable in pharmaceutical development.

Can the nitrile group in Methyl 3-cyano-4-fluorobenzoate be converted to other functional groups? +

Yes. The nitrile (–C≡N) in Methyl 3-cyano-4-fluorobenzoate can be hydrolyzed to a carboxylic acid (strong acid/base, heat) or to an amide (milder conditions, e.g., H₂O₂/base). It can be reduced to a primary amine (LiAlH₄ or catalytic hydrogenation), converted to a tetrazole via [3+2] cycloaddition with NaN₃, or used in Grignard additions to form ketones after hydrolysis.

How should I store Methyl 3-cyano-4-fluorobenzoate? +

Store at recommended temperature in a tightly sealed container. Protect from moisture, heat, and incompatible materials. Store at room temperature in a tightly sealed container away from heat and open flame. Store in a cool, dry, well-ventilated area. Keep tightly sealed and away from acids and strong bases. Always consult the compound-specific Safety Data Sheet (SDS) provided with your order for detailed storage requirements. ChemContract Research includes handling and storage documentation with every shipment.

What is the CAS number of Methyl 3-cyano-4-fluorobenzoate? +

The CAS Registry Number for Methyl 3-cyano-4-fluorobenzoate is 676602-31-6. This unique identifier is used worldwide to reference this specific compound in chemical databases, regulatory filings, and scientific literature. ChemContract Research supplies this compound with full quality documentation. Contact us at chemistry@chem-contract.com for availability and pricing.

Chemical analysis laboratory with HPLC instruments for purity and impurity testing Custom chemical synthesis reaction setup for pharmaceutical intermediate production

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