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CS-W001157 4
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Methyl 2-amino-2-(4-fluorophenyl)acetate

  • CAS No. 42718-13-8

  • Cat. No. CS-0452413
  • Molecule weight183.18
  • Purity≥98%
  • MDL No.None

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

Methyl 2-amino-2-(4-fluorophenyl)acetate|CS-0452413

Structure of 42718-13-8

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General Information

  • CAS No. 42718-13-8
  • Cat. No. CS-0452413
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀FNO₂
  • Molecular Weight 183.18
  • Synonym(s) Benzeneacetic acid, α-amino-4-fluoro-, methyl ester
  • SMILES COC(=O)C(C1=CC=C(C=C1)F)N

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2006/78554 A2, 2006 ; Location in patent: Page/Page column 50 ; WO 2006/078554 A2

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   0.9985
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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