3-Fluoro-4-nitrobenzonitrile

Base Information

• Chemical Name: 3-Fluoro-4-nitrobenzonitrile
• CAS No.: 218632-01-0
• Molecular Formula: C7H3FN2O2
• Molecular Weight: 166.111
• Hs Code.: 2926909090
• European Community (EC) Number: 691-808-8
• DSSTox Substance ID: DTXSID20382638
• Wikidata: Q72475265
• Mol file: 218632-01-0.mol

Synonyms:3-Fluoro-4-nitrobenzonitrile;218632-01-0;4-Cyano-2-fluoro-1-nitrobenzene;Benzonitrile, 3-fluoro-4-nitro-;3-fluoro-4-nitro-benzonitrile;3-Fluoro 4-nitrobenzonitrile;SCHEMBL394172;3-Fluoro-4-Nitro Benzonitrile;DTXSID20382638;OZXCOGPRBUSXLE-UHFFFAOYSA-N;BCP05900;3-Fluoro-4-nitrobenZonitrile, 95%;BBL100885;MFCD04973417;STL554679;AKOS005255213;AC-3199;AM61845;CS-W019367;3-Fluoro-4-nitrobenzonitrile, AldrichCPR;AS-12536;FT-0600895;EN300-135920;J-512504

Chemical Property of 3-Fluoro-4-nitrobenzonitrile

Chemical Property:

• Vapor Pressure: 0.000411mmHg at 25°C
• Melting Point: 72-73°C
• Refractive Index: 1.553
• Boiling Point: 316.4 °C at 760 mmHg
• Flash Point: 145.2 °C
• PSA: 69.61000
• Density: 1.41 g/cm³
• LogP: 2.12878
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 166.01785550
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

99.0% ^*data from raw suppliers

3-Fluoro-4-nitrobenzonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)F)[N+](=O)[O-]
• Uses: 3-Fluoro-4-nitrobenzonitrile (cas# 218632-01-0) is a used in preparation of substituted benzimidazole derivatives as GLP-1r modulating compounds.