Cas no 122376-76-5 (2-(3,5-Difluorophenyl)acetonitrile)

2-(3,5-Difluorophenyl)acetonitrile structure
122376-76-5 structure
Product Name:2-(3,5-Difluorophenyl)acetonitrile
CAS No:122376-76-5
MF:C8H5F2N
MW:153.128808736801
MDL:MFCD00061278
CID:91539
PubChem ID:24878743
Update Time:2025-10-05

2-(3,5-Difluorophenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,5-Difluorobenzylcyanide
    • 3,5-Difluorophenyl acetonitrile
    • 2-(3,5-Difluorophenyl)acetonitrile
    • Benzeneacetonitrile, 3,5-difluoro- (9CI)
    • 3,5-Difluorophenylacetonitrile, 5-Difluorophenylacetonitrile
    • 3,5-Difluorophenylacetonitrile
    • 3,5-DIFLUOROBENZYL CYANIDE
    • 3,5-Difluorophenylacetonitrile98%
    • 3,5-Difluorophenylacetonitrile 98%
    • Benzeneacetonitrile, 3,5-difluoro-
    • (3,5-difluorophenyl)acetonitrile
    • OBMYMTSBABEPIB-UHFFFAOYSA-N
    • 2-(3,5-difluorophenyl)ethanenitrile
    • PubChem1588
    • KSC493I3T
    • 3,5 difluorophenylacetonitrile
    • 3,5-difluoro-phenylacetonitrile
    • 3,5 - Difluorophenylacetonit
    • 122376-76-5
    • A21810
    • DTXSID10333790
    • AM82827
    • PS-8905
    • Z820119882
    • MFCD00061278
    • DS-1563
    • FT-0614602
    • SCHEMBL1019992
    • 2-(3,5-Difluorophenyl)acetonitrile;3,5-Difluorobenzyl cyanide;2-(3,5-Difluorophenyl)acetonitrile
    • F0001-0361
    • CS-W018079
    • 3,5-Difluorophenylacetonitrile, 98%
    • SY017084
    • AKOS007930907
    • EN300-55008
    • J-004795
    • AC-4191
    • D3443
    • (3,5-difluorophenyl)-acetonitrile
    • DTXCID20284880
    • DB-023712
    • MDL： MFCD00061278
    • Inchi： 1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
    • InChI Key： OBMYMTSBABEPIB-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=C(CC#N)C=1)F
    • BRN： 6386696

Computed Properties

  • Exact Mass: 153.03900
  • Monoisotopic Mass: 153.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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: 1.8
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Color/Form: White or grayish yellow solid
  • Density: 1.234
  • Melting Point: 36.0 to 40.0 deg-C
  • Boiling Point: 204.4 °C at 760 mmHg
  • Flash Point: >230?°F
  • Refractive Index: 1.472
  • PSA: 23.79000
  • LogP: 2.03088
  • Solubility: Insoluble in water

2-(3,5-Difluorophenyl)acetonitrile Security Information

  • Symbol: GHS07
  • Prompt：dangerous
  • Signal Word：Warning
  • Hazard Statement： H302,H312,H315,H319,H332,H335
  • Warning Statement： P261,P280,P305+P351+P338
  • Hazardous Material transportation number：3276
  • WGK Germany：3
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26-S36-S36/37/39
  • Hazardous Material Identification： Xn
  • Packing Group：III
  • Hazard Level：6.1
  • Safety Term：6.1
  • Packing Group：III
  • Risk Phrases：R20/21/22
  • HazardClass：6.1
  • PackingGroup：III
  • Storage Condition：Sealed in dry,Room Temperature

2-(3,5-Difluorophenyl)acetonitrile 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-(3,5-Difluorophenyl)acetonitrile Pricemore >>

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