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5-(3-Chlorophenyl)-2h-tetrazole

  • CAS No. 41421-28-7

  • Cat. No. CS-0269114
  • Purity≥97%
  • MDL No.MFCD00040951

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

5-(3-Chlorophenyl)-2h-tetrazole|CS-0269114

Structure of 41421-28-7

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General Information

  • CAS No. 41421-28-7
  • Cat. No. CS-0269114
  • Purity ≥97%
  • MDL No. MFCD00040951
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₄
  • Molecular Weight None
  • Synonym(s) 5-(3-chlorophenyl)-1H-tetrazole
  • SMILES C1=CC(=CC(=C1)Cl)C2=NNN=N2

Synthesis

  • Route1

    References

    • Lang, Leiming; Li, Baojun; Liu, Wei; Jiang, Li; Xu, Zheng; Yin, Gui Chemical Communications, 2010 , vol. 46, # 3 p. 448 - 450
  • Route2

    References

    • Yapuri, Umanadh; Palle, Sadanandam; Gudaparthi, Omprakash; Narahari, Srinivasa Reddy; Rawat, Dhwajbahadur K.; Mukkanti, Khagga; Vantikommu, Jyothi Tetrahedron Letters, 2013 , vol. 54, # 35 p. 4732 - 4734
  • Route3

    References

    • Herbst; Wilson Journal of Organic Chemistry, 1957 , vol. 22, p. 1142,1145

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS01,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H203-H302
Precautionary Statements : P210-P230-P240-P250-P264-P270-P280-P301+P310-P330-P370+P380-P372-P373-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.46
  • LogP   1.5201
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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