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2-((Phenylsulfonyl)methyl)benzonitrile

  • CAS No. 82651-72-7

  • Cat. No. CS-0132643
  • Molecule weight257.31
  • Purity≥98%
  • MDL No.MFCD06797158

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

2-((Phenylsulfonyl)methyl)benzonitrile|CS-0132643

Structure of 82651-72-7

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General Information

  • CAS No. 82651-72-7
  • Cat. No. CS-0132643
  • Purity ≥98%
  • MDL No. MFCD06797158
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₂S
  • Molecular Weight 257.31
  • Synonym(s) 2-Cyanobenzyl Phenyl Sulfone
  • SMILES N#CC1=CC=CC=C1CS(=O)(C2=CC=CC=C2)=O

Synthesis

  • Route1

    References

    • Orita, Akihiro; Hasegawa, Daiki; Nakano, Takehiko; Otera, Junzo Chemistry - A European Journal, 2002 , vol. 8, # 9 p. 2000 - 2004
  • Route2
    • null|null
      92164-25-5
    • ~86%
    • In-stock
      2-((Phenylsulfonyl)methyl)benzonitrile|CS-0132643
      82651-72-7

    References

    • Wladislaw, B.; Marzorati, L.; Ebeling, G. Phosphorus, Sulfur and Silicon and the Related Elements, 1990 , vol. 48, # 1-4 p. 163 - 167
  • Route3
    • null|null
      529-19-1
    • ~%
    • In-stock
      2-((Phenylsulfonyl)methyl)benzonitrile|CS-0132643
      82651-72-7

    References

    • Orita, Akihiro; Hasegawa, Daiki; Nakano, Takehiko; Otera, Junzo Chemistry - A European Journal, 2002 , vol. 8, # 9 p. 2000 - 2004

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+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   2.53218
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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