Cas no 914637-31-3 (2-(3-Fluoro-5-methoxyphenyl)acetonitrile)

2-(3-Fluoro-5-methoxyphenyl)acetonitrile structure
914637-31-3 structure
Product Name:2-(3-Fluoro-5-methoxyphenyl)acetonitrile
CAS No:914637-31-3
MF:C9H8FNO
MW:165.164325714111
MDL:MFCD08741379
CID:1026686
Update Time:2024-10-26

2-(3-Fluoro-5-methoxyphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Fluoro-5-methoxyphenyl)acetonitrile
    • (3-Fluoro-5-methoxyphenyl)acetonitrile
    • 3-(CYANOMETHYL)-5-FLUOROANISOLE
    • 3-Fluoro-5-Methoxyphenylacetonitrile
    • 3-Fluoro-5-methoxybenzyl cyanide
    • VWYCYRCMXIAREJ-UHFFFAOYSA-N
    • CL8908
    • BBL102894
    • STL556703
    • SBB087898
    • PC2842
    • AM61684
    • FCH1150616
    • (3-fluoro-5-methoxyphenyl)-acetonitrile
    • Benzeneacetonitrile, 3-fluoro-5-methox
    • 3-Fluoro-5-methoxybenzeneacetonitrile (ACI)
    • MDL: MFCD08741379
    • Inchi: 1S/C9H8FNO/c1-12-9-5-7(2-3-11)4-8(10)6-9/h4-6H,2H2,1H3
    • InChI Key: VWYCYRCMXIAREJ-UHFFFAOYSA-N
    • SMILES: N#CCC1C=C(OC)C=C(F)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • Topological Polar Surface Area: 33

Experimental Properties

  • Density: 1.148
  • Boiling Point: 249℃ at 760 mmHg
  • Flash Point: 105℃

2-(3-Fluoro-5-methoxyphenyl)acetonitrile Security Information

  • Hazardous Material transportation number:2810
  • HazardClass:6.1
  • PackingGroup:

2-(3-Fluoro-5-methoxyphenyl)acetonitrile Pricemore >>

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2-(3-Fluoro-5-methoxyphenyl)acetonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide Catalysts: Copper bromide (CuBr) ,  N1-(2-Methyl-1-naphthalenyl)-N2-(2-pyridinylmethyl)ethanediamide Solvents: Isopropanol ;  24 h, 105 °C; cooled
1.2 Reagents: Water ;  12 h, 105 °C; cooled
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Assembly of α-(Hetero)aryl Nitriles via Copper-Catalyzed Coupling Reactions with (Hetero)aryl Chlorides and Bromides
Chen, Ying; et al, Angewandte Chemie, 2021, 60(13), 7082-7086

2-(3-Fluoro-5-methoxyphenyl)acetonitrile Raw materials

2-(3-Fluoro-5-methoxyphenyl)acetonitrile Preparation Products

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