3-(Difluoromethoxy)phenylacetonitrile

Base Information

• Chemical Name: 3-(Difluoromethoxy)phenylacetonitrile
• CAS No.: 41429-18-9
• Molecular Formula: C9H7F2NO
• Molecular Weight: 183.157
• Hs Code.: 2926909090
• European Community (EC) Number: 671-877-0
• DSSTox Substance ID: DTXSID10371773
• Wikidata: Q82159216
• Mol file: 41429-18-9.mol

Synonyms:41429-18-9;3-(Difluoromethoxy)phenylacetonitrile;2-(3-(Difluoromethoxy)phenyl)acetonitrile;2-[3-(difluoromethoxy)phenyl]acetonitrile;Benzeneacetonitrile, 3-(difluoromethoxy)-;SCHEMBL5176295;DTXSID10371773;LBUREXPMNBZKFH-UHFFFAOYSA-N;MFCD00236241;AKOS006228990;FS-1154;SB85671;[3-(Difluoromethoxy)phenyl]acetonitrile;CS-0100896;FT-0639714;A12507;EN300-1937591;2-[3-[bis(fluoranyl)methoxy]phenyl]ethanenitrile;A825551

Chemical Property of 3-(Difluoromethoxy)phenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.0112mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 261.9 °C at 760 mmHg
• Flash Point: 112.2 °C
• PSA: 33.02000
• Density: 1.213 g/cm³
• LogP: 2.35408
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.04957017
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

3-(Difluoromethoxy)phenylacetonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC(F)F)CC#N