2-(4-Chloro-2,6-difluorophenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Chloro-2,6-difluorophenyl)acetonitrile
• CAS No.: 537033-53-7
• Molecular Formula: C8H4ClF2N
• Molecular Weight: 187.57
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID30378562
• Wikidata: Q82168051
• Mol file: 537033-53-7.mol

Synonyms:537033-53-7;2-(4-chloro-2,6-difluorophenyl)acetonitrile;4-Chloro-2,6-difluorophenylacetonitrile;SCHEMBL2152027;DTXSID30378562;JPQBMSUBGQQICQ-UHFFFAOYSA-N;CK2044;MFCD03094465;AKOS015956776;AS-45855;CS-0322961;FT-0664638;(4-chloro-2,6-difluoro-phenyl)-acetonitrile;A870649

Chemical Property of 2-(4-Chloro-2,6-difluorophenyl)acetonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 2.68428
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.0000331
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-2,6-difluorophenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)CC#N)F)Cl
• Uses: 4-CHLORO-2,6-DIFLUOROPHENYLACETONITRILE is a tri-halogenated phenylacetonitrile used in the preparation of pyrrolidine-2-carboxamides as anticancer agents. A tri-halogenated phenylacetonitrile used in the preparation of pyrrolidine-2-carboxamides as anticancer agents.