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CS-W001157 4
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4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

  • CAS No. 78103-84-1

  • Cat. No. CS-0242499
  • Molecule weight185.26
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile|CS-0242499

Structure of 78103-84-1

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General Information

  • CAS No. 78103-84-1
  • Cat. No. CS-0242499
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅N
  • Molecular Weight 185.26
  • Synonym(s) 1,2,3,4-Tetrahydro-4,4-dimethylnaphthalene-1-carbonitrile
  • SMILES N#CC1CCC(C)(C)C2=C1C=CC=C2

Synthesis

  • Route1
    • 5-Methyl-2-phenylhex-4-enenitrile|CS-1674142
      38179-48-5
    • ~92%
    • 4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile|CS-0242499
      78103-84-1

    References

    • Givaudan Corporation Patent: US4481133 A1, 1984 ;
  • Route2
    • null|null
      1323928-41-1
    • ~%
    • 4,4-Dimethyl-1,2,3,4-tetrahydronaphthalene-1-carbonitrile|CS-0242499
      78103-84-1

    References

    • Cacciuttolo, Bastien; Poulain-Martini, Sophie; Dunach, Elisabet European Journal of Organic Chemistry, 2011 , # 20-21 p. 3710 - 3714
  • Route3

    References

    • Cacciuttolo, Bastien; Poulain-Martini, Sophie; Dunach, Elisabet European Journal of Organic Chemistry, 2011 , # 20-21 p. 3710 - 3714

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.36518
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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