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CS-W001157 4
Total: USD 88.00

2-(3,4-Dimethylphenyl)acetonitrile

  • CAS No. 3020-06-2

  • Cat. No. CS-0257129
  • Purity≥98%
  • MDL No.None

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

2-(3,4-Dimethylphenyl)acetonitrile|CS-0257129

Structure of 3020-06-2

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General Information

  • CAS No. 3020-06-2
  • Cat. No. CS-0257129
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N
  • Molecular Weight 145.20
  • Synonym(s) 3,4-DIMETHYLPHENYLACETONITRILE
  • SMILES CC1=CC=C(CC#N)C=C1C

Synthesis

  • Route1
    • null|null
      143-33-9
    • null|null
      102-46-5
    • ~97%
    • 2-(3,4-Dimethylphenyl)acetonitrile|CS-0257129
      3020-06-2

    References

    • Lee, Jeewoo; Kim, Su Yeon; Park, Soyoung; Lim, Ju-Ok; Kim, Ji-Min; Kang, Myungshim; Lee, Jiyoun; Kang, Sang-Uk; Choi, Hyun-Kyung; Jin, Mi-Kyung; Welter, Jacqueline D.; Szabo, Tamas; Tran, Richard; Pearce, Larry V.; Toth, Attila; Blumberg, Peter M. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 5 p. 1055 - 1069
  • Route2
    • null|null
      95-47-6
    • ~%
    • 2-(3,4-Dimethylphenyl)acetonitrile|CS-0257129
      3020-06-2

    References

    • Benington,F. et al. Journal of Organic Chemistry, 1960 , vol. 25, p. 2066 - 2067
  • Route3
    • null|null
      17283-17-9
    • ~%
    • 2-(3,4-Dimethylphenyl)acetonitrile|CS-0257129
      3020-06-2

    References

    • Beasley,J.G.; Burger,A. Journal of Medicinal Chemistry, 1964 , vol. 7, p. 686 - 689

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H319-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.36952
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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