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CS-W001157 4
Total: USD 88.00

6-Chloro-1H-indole-5-carbonitrile

  • CAS No. 1423120-66-4

  • Cat. No. CS-0446079
  • Purity≥96%
  • MDL No.MFCD23706334

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

6-Chloro-1H-indole-5-carbonitrile|CS-0446079

Structure of 1423120-66-4

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General Information

  • CAS No. 1423120-66-4
  • Cat. No. CS-0446079
  • Purity ≥96%
  • MDL No. MFCD23706334
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClN₂
  • Molecular Weight 176.60
  • Synonym(s) 6-Chloroindole-5-carbonitrile
  • SMILES C1=CNC2=CC(=C(C=C12)C#N)Cl

Synthesis

  • Route1
    • null|null
      1425933-52-3
    • ~86%
    • In-stock
      6-Chloro-1H-indole-5-carbonitrile|CS-0446079
      1423120-66-4

    References

    • F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; Location in patent: Page/Page column 161 ; WO 2013/026914 A1
  • Route2

    References

    • F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; WO 2013/026914 A1
  • Route3
    • 4-amino-2-chloro-5-iodobenzonitrile|CS-0006456
      380241-58-7
    • ~%
    • In-stock
      6-Chloro-1H-indole-5-carbonitrile|CS-0446079
      1423120-66-4

    References

    • F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; WO 2013/026914 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.69298
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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