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CS-W001157 4
Total: USD 88.00

4-Chloro-3-isopropoxyaniline

  • CAS No. 76464-54-5

  • Cat. No. CS-0455625
  • Molecule weight185.65
  • Purity≥98%
  • MDL No.None

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

4-Chloro-3-isopropoxyaniline|CS-0455625

Structure of 76464-54-5

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General Information

  • CAS No. 76464-54-5
  • Cat. No. CS-0455625
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂ClNO
  • Molecular Weight 185.65
  • Synonym(s) 4-Chloro-3-isopropoxy-phenylamine
  • SMILES CC(C)OC1=C(C=CC(=C1)N)Cl

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; BROOKS, Carl, A.; CHEUNG, Mui; EIDAM, Hilary, S.; FOX, Ryan, M; HILFKER, Mark, A.; MANAS, Eric, S.; YE, Guosen Patent: WO2011/119704 A1, 2011 ; Location in patent: Page/Page column 43 ;
  • Route2

    References

    • Cross, R. Matthew; Maignan, Jordany R.; Mutka, Tina S.; Luong, Lisa; Sargent, Justin; Kyle, Dennis E.; Manetsch, Roman Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4399 - 4426
  • Route3

    References

    • Cross, R. Matthew; Maignan, Jordany R.; Mutka, Tina S.; Luong, Lisa; Sargent, Justin; Kyle, Dennis E.; Manetsch, Roman Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4399 - 4426

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   2.7094
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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