Cas no 107170-81-0 (1,3-Benzenedicarbonitrile,2,5-dimethyl-)

1,3-Benzenedicarbonitrile,2,5-dimethyl- structure
107170-81-0 structure
Product Name:1,3-Benzenedicarbonitrile,2,5-dimethyl-
CAS No:107170-81-0
MF:C11H10N2
MW:170.210502147675
CID:127476
PubChem ID:19349396
Update Time:2025-04-18

1,3-Benzenedicarbonitrile,2,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarbonitrile,2,5-dimethyl-
    • [3-(cyanomethyl)-5-methylphenyl]acetonitrile
    • 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile
    • 2,5-dimethyl-1,3-phthalodinitrile
    • 2,6-dicyano-p-xylene
    • 3,5-bis-(Cyanomethyl)toluene
    • 3,5-Bis(cyanomethyl)toluene
    • ACMC-20ah11
    • PubChem19672
    • 3,5-DICYANOMETHYL TOLUENE
    • 2,5-DIMETHYL-ISOPHTHALONITRILE
    • (3-Cyanomethyl-5-methylphenyl)acetonitrile
    • 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile (Anastrozole Impurity)
    • 1,3-Benzenediacetonitrile, 5-methyl-
    • 5-Methyl-1,3-benzenediacetonitrile
    • M2934
    • 73SN5NM7V5
    • DTXSID20923444
    • 2-[3-(cyanomethyl)-5-methyl-phenyl]ethanenitrile
    • 1,3-biscyanomethyl-5-methylbenzene
    • DROFENINEHYDROCHLORIDE
    • SCHEMBL2262582
    • AMY198
    • XJCXEUYJQHPEAE-UHFFFAOYSA-N
    • A804527
    • 1,3-Benzenediacetonitrile, 5-methyl-; 5-Methyl-1,3-benzenediacetonitrile; (3-Cyanomethyl-5-methylphenyl)acetonitrile; 5-Methylbenzene-1,3-diacetonitrile
    • AS-13105
    • FT-0642940
    • BCP27845
    • CS-0181823
    • AC-6805
    • Q-100985
    • 3-Cyanomethyl-5-methyl-phenylacetonitrile
    • 120511-74-2
    • 107170-81-0
    • 5-Methylbenzene-1,3-diacetonitrile
    • MFCD07782113
    • AKOS006285190
    • 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile
    • 1,3-Benzenedicarbonitrile, 2,5-dimethyl-
    • Inchi： 1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3
    • InChI Key： XJCXEUYJQHPEAE-UHFFFAOYSA-N
    • SMILES： N#CCC1C=C(C)C=C(CC#N)C=1

Computed Properties

  • Exact Mass: 156.06884
  • Monoisotopic Mass: 170.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 226
  • 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: 1.6
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 1.09
  • Melting Point: 174-175.5 °C(Solv: benzene (71-43-2))
  • Boiling Point: 294.3°C at 760 mmHg
  • Flash Point: 136.2°C
  • Refractive Index: 1.547
  • PSA: 47.58
  • LogP: 2.04676

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