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CS-W001157 4
Total: USD 88.00

2-Chloro-3-methyl-4-aminobenzonitrile

  • CAS No. 573768-09-9

  • Cat. No. CS-0007915
  • Molecule weight166.61
  • Purity≥98%
  • MDL No.MFCD08059126

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

2-Chloro-3-methyl-4-aminobenzonitrile|CS-0007915

Structure of 573768-09-9

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General Information

  • CAS No. 573768-09-9
  • Cat. No. CS-0007915
  • Purity ≥98%
  • MDL No. MFCD08059126
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClN₂
  • Molecular Weight 166.61
  • Synonym(s) 3-Chloro-4-cyano-2-methylaniline; 3-Chloro-4-cyano-2-methylphenylamine; 4-Amino-2-chloro-3-methylbenzonitrile
  • SMILES NC1=CC=C(C#N)C(Cl)=C1C

Synthesis

  • Route1
    • null|null
      627531-48-0
    • ~94%
    • In-stock
      2-Chloro-3-methyl-4-aminobenzonitrile|CS-0007915
      573768-09-9

    References

    • Li, James J.; Sutton, James C.; Nirschl, Alexandra; Zou, Yan; Wang, Haixia; Sun, Chongqing; Pi, Zulan; Johnson, Rebecca; Krystek Jr., Stanley R.; Seethala, Ramakrishna; Golla, Rajasree; Sleph, Paul G.; Beehler, Blake C.; Grover, Gary J.; Fura, Aberra; Vyas, Viral P.; Li, Cindy Y.; Gougoutas, Jack Z.; Galella, Michael A.; Zahler, Robert; Ostrowski, Jacek; Hamann, Lawrence G. Journal of Medicinal Chemistry, 2007 , vol. 50, # 13 p. 3015 - 3025
  • Route2
    • In-stock
      N-(4-Bromo-3-chloro-2-methylphenyl)acetamide|CS-0007912
      125328-80-5
    • null|null
      544-92-3
    • ~77%
    • In-stock
      2-Chloro-3-methyl-4-aminobenzonitrile|CS-0007915
      573768-09-9

    References

    • ELI LILLY AND COMPANY Patent: WO2006/124447 A2, 2006 ; Location in patent: Page/Page column 64-65 ; WO 2006/124447 A2
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/49580 A1, 2005 ; Location in patent: Page/Page column 44; 45 ; WO 2005/049580 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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.1023
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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