Cas no 3842-20-4 (2-(1,3-Dioxoisoindolin-2-yl)acetonitrile)

2-(1,3-Dioxoisoindolin-2-yl)acetonitrile structure
3842-20-4 structure
Product Name:2-(1,3-Dioxoisoindolin-2-yl)acetonitrile
CAS No:3842-20-4
MF:C10H6N2O2
MW:186.166841983795
MDL:MFCD00087362
CID:44527
PubChem ID:345881
Update Time:2025-04-18

2-(1,3-Dioxoisoindolin-2-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • N-(Cyanomethyl)phthalimide
    • 2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)acetonitrile
    • (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile
    • 2-(1,3-dioxoisoindol-2-yl)acetonitrile
    • 2-(1,3-DIOXOISOINDOLIN-2-YL)ACETONITRILE
    • 1,3-dihydro-1,3-dioxo-2H-isoindole-2-acet
    • 2-(1,3-dioxobenzo[c]azolidin-2-yl)ethanenitrile
    • AC1L83QK
    • N,N-phthaloyl-glycine nitrile
    • N,N-Phthaloyl-glycin-nitril
    • N-Cyanomethyl phthalimide
    • NSC403772
    • phthalimidoacetonitrile
    • SBB041025
    • N-(CYANOMETHYL)-PHTHALIMIDE
    • 2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-
    • Phthalimidylacetonitrile
    • 2-Phthalimidoacetonitrile
    • Oprea1_305106
    • SCHE
    • HMS1667P13
    • BS-10109
    • A824142
    • (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetonitrile
    • EN300-30880
    • NSC-403772
    • SB64075
    • AC1358
    • FT-0695173
    • CS-0197197
    • AKOS000198489
    • MFCD00087362
    • 3842-20-4
    • SY036027
    • Z18271716
    • DTXSID30323370
    • KJTIDLYAIIARFO-UHFFFAOYSA-N
    • SCHEMBL1357288
    • ALBB-017814
    • DB-103378
    • STL163606
    • 2-(1,3-Dioxoisoindolin-2-yl)acetonitrile
    • MDL: MFCD00087362
    • Inchi: 1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2
    • InChI Key: KJTIDLYAIIARFO-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(N1CC#N)=O

Computed Properties

  • Exact Mass: 186.04298
  • Monoisotopic Mass: 186.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 304
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 61.2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 361.4℃/760mmHg
  • Flash Point: 172.4±23.2 °C
  • PSA: 61.17
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(1,3-Dioxoisoindolin-2-yl)acetonitrile Security Information

2-(1,3-Dioxoisoindolin-2-yl)acetonitrile Pricemore >>

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