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CS-W001157 4
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4-Chloro-2-ethynyl-1-nitrobenzene

  • CAS No. 860687-65-6

  • Cat. No. CS-0611472
  • Molecule weight181.58
  • Purity≥98%
  • MDL No.None

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

4-Chloro-2-ethynyl-1-nitrobenzene|CS-0611472

Structure of 860687-65-6

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General Information

  • CAS No. 860687-65-6
  • Cat. No. CS-0611472
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClNO₂
  • Molecular Weight 181.58
  • Synonym(s) 4-CHLORO-2-ETHYNYL-1-NITRO-BENZENE
  • SMILES O=[N+](C1=CC=C(Cl)C=C1C#C)[O-]

Synthesis

  • Route1

    References

    • STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY Patent: WO2008/156656 A2, 2008 ; Location in patent: Page/Page column 44; 182 ;
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    References

    • Jadhav, Appaso Mahadev; Bhunia, Sabyasachi; Liao, Hsin-Yi; Liu, Rai-Shung Journal of the American Chemical Society, 2011 , vol. 133, # 6 p. 1769 - 1771
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      860687-65-6

    References

    • Schofield; Swain Journal of the Chemical Society, 1949 , p. 2393,2396

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.2295
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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