Cas no 175136-84-2 (2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile)

2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile is a fluorinated aromatic compound featuring two acetonitrile substituents positioned ortho to a central fluorine atom on a benzene ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for constructing heterocycles and fluorinated pharmaceuticals. The electron-withdrawing nature of the fluorine and nitrile groups enhances its utility in nucleophilic substitution and cyclization reactions. Its high purity and stability under standard conditions ensure consistent performance in fine chemical applications. The compound is particularly suited for use in medicinal chemistry and materials science, where precise functional group placement is critical.
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile structure
175136-84-2 structure
Product Name:2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
CAS No:175136-84-2
MF:C10H7FN2
MW:174.174385309219
MDL:MFCD00052861
CID:137489
PubChem ID:2736018
Update Time:2025-06-07

2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
    • 1,3-Benzenediacetonitrile,2-fluoro-
    • 1,3-BIS(CYANOMETHYL)-2-FLUOROBENZENE
    • 2-[3-(cyanomethyl)-2-fluorophenyl]acetonitrile
    • 2-Fluorobenzene-1,3-diacetonitrile
    • 2-[3-(CYANOMETHYL)-2-FLUOROPHENYL]ACETONITRILE 2-FLUOROBENZENE-1,3-DIACETONITRILE
    • 1,3-Bis(cyanomethyl)-2-fluorobenzene97%
    • 1,3-Bis(cyanomethyl)-2-fluorobenzene 97%
    • Maybridge1_003226
    • FT-0606571
    • MFCD00052861
    • A811765
    • DTXSID00371085
    • 175136-84-2
    • HMS550K14
    • AKOS006230618
    • DB-017789
    • MDL： MFCD00052861
    • Inchi： 1S/C10H7FN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-5H2
    • InChI Key： JUBROZINNOMDLD-UHFFFAOYSA-N
    • SMILES： FC1C(CC#N)=CC=CC=1CC#N

Computed Properties

  • Exact Mass: 174.05900
  • Monoisotopic Mass: 174.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3
  • Topological Polar Surface Area: 47.6A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.338
  • Melting Point: 75 °C
  • Boiling Point: 342.3°C at 760 mmHg
  • Flash Point: 160.8°C
  • Refractive Index: 1.549
  • PSA: 47.58000
  • LogP: 1.95786
  • Solubility: Not determined

2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile Security Information

  • Hazard Statement： Toxic
  • Hazard Category Code： 23/24/25
  • Safety Instruction： S36/37/39-S45
  • Hazardous Material Identification： T
  • HazardClass：TOXIC
  • Risk Phrases：R23/24/25

2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
D504417-250mg
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
 175136-84-2 97%
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 $200 2023-09-03
eNovation Chemicals LLC
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Alichem
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 400.00 USD 2021-06-16
Cooke Chemical
BD8387647-1g
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
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 RMB 368.00 2025-02-20
Cooke Chemical
BD8387647-5g
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
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 RMB 1228.00 2025-02-20
eNovation Chemicals LLC
D504417-25g
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
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eNovation Chemicals LLC
D504417-25g
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
 175136-84-2 97%
25g
 $2364 2025-02-20
eNovation Chemicals LLC
D504417-25g
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
 175136-84-2 97%
25g
 $2364 2024-05-24
Crysdot LLC
CD12132553-10g
2,2'-(2-Fluoro-1,3-phenylene)diacetonitrile
 175136-84-2 97%
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 $334 2024-07-24

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