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CS-W001157 4
Total: USD 88.00

3-(1-Cyanoethyl)benzoic acid

  • CAS No. 5537-71-3

  • Cat. No. CS-0017851
  • Purity≥98%
  • MDL No.MFCD00002520

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

3-(1-Cyanoethyl)benzoic acid|CS-0017851

Structure of 5537-71-3

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General Information

  • CAS No. 5537-71-3
  • Cat. No. CS-0017851
  • Purity ≥98%
  • MDL No. MFCD00002520
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) DF2107Y
  • SMILES O=C(O)C1=CC=CC(C(C#N)C)=C1

Description

3-(1-Cyanoethyl)benzoic acid was used in screening of cobalt containing nitrile hydratases for their enantioselectivity towards wide range of chiral nitriles.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H317-H318
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   2.01188
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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