2-Nitrobenzonitrile, 98+%

Description

CAS: 612-24-8 | C7H4N2O2 | 148.12 g/mol

ET catalysis of Au25 in intramolecular cascade reaction of 2-nitrobenzonitrile, from which 2-amniobenzamide (a precursor of significant pharmaceuticals20,21) is produced with high yield. fluorodenitration of 2-nitrobenzonitrile with Rb18F in DMSO gave an 85% yield of the 18F-labelled benzonitrile after only 20 minutes at 150°C.

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
ET catalysis of Au25 in intramolecular cascade reaction of 2-nitrobenzonitrile, from which 2-amniobenzamide (a precursor of significant pharmaceuticals20,21) is produced with high yield. fluorodenitration of 2-nitrobenzonitrile with Rb18F in DMSO gave an 85% yield of the 18F-labelled benzonitrile after only 20 minutes at 150°C.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 612-24-8
• Molecular Formula: C7H4N2O2
• Molecular Weight (g/mol): 148.12
• MDL Number: MFCD00007044
• InChI Key: SWBDKCMOLSUXRH-UHFFFAOYSA-N
• Synonym: o-nitrobenzonitrile, o-cyanonitrobenzene, benzonitrile, o-nitro, benzonitrile, 2-nitro, 2-cyanonitrobenzene, nitrobenzonitrile, unii-drc6u29fci, ccris 2326, 1-nitro-2-cyanobenzene, 2-nitrobenzenecarbonitrile
• PubChem CID: 11922
• IUPAC Name: 2-nitrobenzonitrile
• SMILES: [O-][N+](=O)C1=CC=CC=C1C#N

• Melting Point: 107°C to 111°C
• Boiling Point: 165°C (16 mmHg)
• Odor: Almond-like
• Quantity: 25 g
• UN Number: UN3439
• Beilstein: 638987
• Solubility Information: Insoluble in water.
• Formula Weight: 148.12
• Percent Purity: ≥98%
• Chemical Name or Material: 2-Nitrobenzonitrile

Safety and Handling

Hazard Category	H300-H311+H331
Hazard Statement	GHS H Statement H300-H311 Fatal if swallowed. Toxic in contact with skin.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber	210-301-0
RTECSNumber	DI4903000
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only