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CS-W001157 4
Total: USD 88.00

3-Chloro-4,4-dimethyl-pent-2-enenitrile

  • CAS No. 216574-58-2

  • Cat. No. CS-0341276
  • Molecule weight143.61
  • Purity≥95%
  • MDL No.None

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

3-Chloro-4,4-dimethyl-pent-2-enenitrile|CS-0341276

Structure of 216574-58-2

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General Information

  • CAS No. 216574-58-2
  • Cat. No. CS-0341276
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀ClN
  • Molecular Weight 143.61
  • Synonym(s) 3-tert-Butyl-3-chloroacrylonitrile
  • SMILES CC(C)(C)C(Cl)=CC#N

Synthesis

  • Route1
    • null|null
      75-97-8
    • null|null
      68-12-2
    • ~93%
    • 3-Chloro-4,4-dimethyl-pent-2-enenitrile|CS-0341276
      216574-58-2

    References

    • Bayer Corporation Patent: EP1019040 B1, 2004 ; Location in patent: Page/Page column 28-29 ;
  • Route2
    • null|null
      75-97-8
    • ~%
    • 3-Chloro-4,4-dimethyl-pent-2-enenitrile|CS-0341276
      216574-58-2

    References

    • Synthesis, , # 8 p. 1096 - 1100
  • Route3
    • null|null
      4302-24-3
    • ~%
    • 3-Chloro-4,4-dimethyl-pent-2-enenitrile|CS-0341276
      216574-58-2

    References

    • Synthesis, , # 8 p. 1096 - 1100

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.67878
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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