2-Cyanobenzoic acid, 94%, Thermo Scientific Chemicals

Description

2-Cyanobenzoic acid has been used as reactant in the synthesis of T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives, Benzoate modified β-cyclodextrin derivatives and Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors. As a reactant involved in decarboxylation, decarboxylative halogenation and protodecarboxylation.

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 Scientific Chemicals.

Applications
2-Cyanobenzoic acid has been used as reactant in the synthesis of T-box riboswitch antiterminator RNA-binding oxazolidinone derivatives, Benzoate modified β-cyclodextrin derivatives and Pyrrolo[1,2-f]triazines for use as JAK2 inhibitors. As a reactant involved in decarboxylation, decarboxylative halogenation and protodecarboxylation.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents and bases.

Specifications

Chemical Identifiers

• CAS: 3839-22-3
• Molecular Formula: C8H5NO2
• Molecular Weight (g/mol): 147.133
• MDL Number: MFCD00045796
• InChI Key: DTNSDCJFTHMDAK-UHFFFAOYSA-N
• Synonym: o-cyanobenzoic acid, cyanobenzoic acid, benzoic acid, 2-cyano, 2-carboxybenzonitrile, 2-carboxy-benzonitrile, 2-cyanobenzoicacid, 2-cyano-benzoic acid, pubchem12513, acmc-1bn2v
• PubChem CID: 138061
• IUPAC Name: 2-cyanobenzoic acid
• SMILES: C1=CC=C(C(=C1)C#N)C(=O)O

• Melting Point: 210°C to 212°C
• Quantity: 1 g
• Formula Weight: 147.13
• Percent Purity: 96%
• Chemical Name or Material: 2-Cyanobenzoic acid

Safety and Handling

Product Identifier

• 2-Cyanobenzoic acid

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H302-Harmful if swallowed.
• H312-Harmful in contact with skin.
• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H332-Harmful if inhaled.
• H335-May cause respiratory irritation.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.
• P302+P352-IF ON SKIN: Wash with plenty of water/soap.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Supplemental information

• MIXTURE LIST-Contains : 2-Cyanobenzoic acid

RUO – Research Use Only