2-(3-Fluoro-2-methylphenyl)acetonitrile

Base Information

• Chemical Name: 2-(3-Fluoro-2-methylphenyl)acetonitrile
• CAS No.: 500912-15-2
• Molecular Formula: C₉H₈FN
• Molecular Weight: 149.168
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20381348
• Wikidata: Q82172130
• Mol file: 500912-15-2.mol

Synonyms:2-(3-fluoro-2-methylphenyl)acetonitrile;500912-15-2;3-Fluoro-2-methylphenylacetonitrile;Benzeneacetonitrile, 3-fluoro-2-methyl- (9CI);SCHEMBL11919558;DTXSID20381348;MFCD03788544;AKOS015956662;AM62531;CS-W018177;JS-4466;3-FLUORO-2-METHYL-BENZENEACETONITRILE;EN300-1832391

Chemical Property of 2-(3-Fluoro-2-methylphenyl)acetonitrile

Chemical Property:

• Melting Point: 45-48℃
• Boiling Point: 236.6±25.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.095±0.06 g/cm3(Predicted)
• LogP: 2.20018
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.064077422
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-2-methylphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1F)CC#N

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