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2-Cyanobenzoic acid

CAS 3839-22-3NCC6H4CO2HChemical Synthesis

2-Cyanobenzoic acid (CAS: 3839-22-3), with the formula C8H5NO2 and a molecular weight of 147.13 g/mol, is an organic compound typically supplied as technical grade by Tech Serve Solutions. It serves as a key reactant in various synthetic pathways, notably in the development of novel oxazolidinone derivatives and as a precursor for JAK2 inhibitors. Its applications extend to decarboxylation and halogenation reactions within chemical synthesis.

IUPAC
o-Carboxybenzonitrile,NSC 193443
Synonyms
o-Carboxybenzonitrile2-CarboxybenzonitrileBenzonitrile, 2-carboxy-
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2-Cyanobenzoic acid (NCC6H4CO2H) — chemical structure, CAS 3839-22-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksCarbonyl CompoundsCarboxylic AcidsChemical Synthesis
01 /Applications

Synthesis of T-Box Riboswitch Derivatives

2-Cyanobenzoic acid is a crucial reactant in the preparation of T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives, contributing to advancements in molecular biology tools.

Preparation of Modified Cyclodextrins

This compound is utilised in the synthesis of benzoate-modified beta-cyclodextrin derivatives, which may find applications in areas requiring specialised host-guest chemistry.

Development of JAK2 Inhibitors

It acts as a reactant in the synthesis of pyrrolo[1,2-f]triazines, a class of compounds investigated for their potential as JAK2 inhibitors in pharmaceutical research.

Decarboxylation Reactions

2-Cyanobenzoic acid participates in fundamental organic transformations, including decarboxylation reactions, enabling the removal of a carboxyl group during synthesis.

Decarboxylative Halogenation

The compound is employed in decarboxylative halogenation processes, allowing for the simultaneous introduction of a halogen and removal of a carboxyl group.

02 /Properties
Molecular weight147.13
Linear formulaNCC6H4CO2H
Gradetechnical grade
ApplicationReactant involved in the synthesis of:• T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives1• Benzoate modified β-cyclodextrin derivatives2• Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors3Reactant involved in:• Decarboxylation4• Decarboxylative halogenation3• Protodecarboxylation5
Melting point212 °C(lit.)
03 /Safety & handling
Protective equipmentEyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Water hazard class (WGK, DE)3

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
3839-22-3
MDL number
MFCD00045796
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 2-Cyanobenzoic acid used for?

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2-Cyanobenzoic acid is used as a reactant in the synthesis of oxazolidinone derivatives, benzoate modified beta-cyclodextrin derivatives, and pyrrolo[1,2-f]triazines (potential JAK2 inhibitors). It is also involved in decarboxylation, decarboxylative halogenation, and protodecarboxylation reactions.

What is the CAS number and chemical formula for 2-Cyanobenzoic acid?

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The CAS number is 3839-22-3 and the chemical formula is C8H5NO2 (or NCC6H4CO2H).

What grade and purity does Tech Serve Solutions supply for 2-Cyanobenzoic acid?

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Tech Serve Solutions supplies 2-Cyanobenzoic acid in technical grade. We do not represent this product as USP, BP, or EP grade.

How should 2-Cyanobenzoic acid be handled safely?

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Handling requires appropriate personal protective equipment, including eyeshields and gloves. A type N95 (US) or type P1 (EN143) respirator filter is recommended. Refer to the Safety Data Sheet for full details.

How is 2-Cyanobenzoic acid packed, shipped, or exported?

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Products are carefully packed according to international shipping regulations to ensure safe transit. TSS is a global supplier and exporter.

How can I request a quote or sample of 2-Cyanobenzoic acid?

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Please contact our sales team via the website or direct email to request a quote or a sample of 2-Cyanobenzoic acid.

Need 2-Cyanobenzoic acid in a specific grade or volume?