Cas no 70711-80-7 (4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile)

4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile structure
70711-80-7 structure
Product Name:4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile
CAS No:70711-80-7
MF:C24H29N
MW:331.493766546249
CID:1082547
PubChem ID:106491
Update Time:2025-04-20

4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile
    • MFCD01076317
    • 4-Cyano-4'-(trans-4-pentylcyclohexyl)biphenyl
    • trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile
    • 4'-(trans-4-pentylcyclohexyl)-4-biphenylcarbonitrile
    • trans-4'-(4-Amylcyclohexyl)biphenyl-4-carbonitrile
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-(4-pentylcyclohexyl)-, trans-
    • trans-4-(4-Pentylcyclohexyl)-4'-cyanobiphenyl
    • DTXSID80887134
    • FT-0616865
    • trans
    • QKEBUASRTJNJJS-XUTJKUGGSA-N
    • W-104689
    • QKEBUASRTJNJJS-UHFFFAOYSA-N
    • 4'-(4-pentyl-cyclohexyl)-biphenyl-4-carbonitrile
    • C24H29N
    • LS-15055
    • trans-4-[4-(4-n-Pentylcyclohexyl)phenyl]benzonitrile
    • 4-(TRANS-4-N-PENTYLCYCLOHEXYL)BIPHENYL-4'-CARBONITRILE
    • 4'-((1s,4r)-4-pentylcyclohexyl)biphenyl-4-carbonitrile
    • SCHEMBL13340545
    • DS-15539
    • AMY25193
    • 4'-(4-PENTYLCYCLOHEXYL)-[1,1'-BIPHENYL]-4-CARBONITRILE
    • CS-W011952
    • 4-[4-(trans-4-Pentylcyclohexyl)phenyl]benzonitrile
    • Licristal S 1131
    • 4-Cyano-4'-(trans-4-pentylcyclohexyl)-biphenyl
    • 4'-(trans-4-Pentylcyclohexyl)biphenyl-4-carbonitrile
    • 4-Cyano-4'-(trans-4-amylcyclohexyl)biphenyl
    • EINECS 268-333-6
    • (1,1'-Biphenyl)-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-
    • A24024
    • SCHEMBL223333
    • 4'-(Trans-4-pentylcyclohexyl)- [1,1'-biphenyl]-4-carbonitrile;4'-(trans-4-Pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile
    • SCHEMBL223334
    • trans-4'-(4-Pentylcyclohexyl)(1,1'-biphenyl)-4-carbonitrile
    • 4'-(trans-4-Amylcyclohexyl)biphenyl-4-carbonitrile
    • 4'-(Trans-4-pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile
    • 68065-81-6
    • 70711-80-7
    • 4-[4-(trans-4-Amylcyclohexyl)phenyl]benzonitrile
    • 4-(trans-4-pentylcyclohexyl)-4'-cyanobiphenyl
    • -4-[4-(4-n-Pentylcyclohexyl)phenyl]benzonitrile
    • 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
    • NS00063160
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-
    • AKOS015888892
    • 4''-(trans-4-Pentylcyclohexyl)-[1,1''-biphenyl]-4-carbonitrile
    • DB-009053
    • Inchi： 1S/C24H29N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-17,19,21H,2-7,10-11H2,1H3
    • InChI Key： QKEBUASRTJNJJS-UHFFFAOYSA-N
    • SMILES： N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C1CCC(CCCCC)CC1

Computed Properties

  • Exact Mass: 331.23
  • Monoisotopic Mass: 331.23
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 409
  • 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
  • Topological Polar Surface Area: 23.8A^2
  • XLogP3: 8.2

Experimental Properties

  • Density: 1.03
  • Melting Point: 95-97°C
  • Boiling Point: 479.2°C at 760 mmHg
  • Flash Point: 245.5°C
  • Refractive Index: 1.566
  • PSA: 23.79000
  • LogP: 7.07938

4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile Related Literature

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