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CS-W001157 4
Total: USD 88.00

4-Fluoro-N1-methylbenzene-1,2-diamine

  • CAS No. 401567-10-0

  • Cat. No. CS-0208466
  • Molecule weight140.16
  • Purity≥95%
  • MDL No.MFCD06408846

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

4-Fluoro-N1-methylbenzene-1,2-diamine|CS-0208466

Structure of 401567-10-0

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General Information

  • CAS No. 401567-10-0
  • Cat. No. CS-0208466
  • Purity ≥95%
  • MDL No. MFCD06408846
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉FN₂
  • Molecular Weight 140.16
  • Synonym(s) 4-Fluoro-1-N-methyl-1,2-benzenediamine
  • SMILES CNC1=C(C=C(C=C1)F)N

Synthesis

  • Route1
    • 4-Fluoro-N-methyl-2-nitroaniline|CS-0130593
      704-05-2
    • ~49%
    • 4-Fluoro-N1-methylbenzene-1,2-diamine|CS-0208466
      401567-10-0

    References

    • Boehringer Ingelheim International GmbH Patent: US2007/203125 A1, 2007 ; Location in patent: Page/Page column 37 ;
  • Route2

    References

    • Dudash Jr., Joseph; Zhang, Yongzheng; Moore, John B.; Look, Richard; Liang, Yin; Beavers, Mary Pat; Conway, Bruce R.; Rybczynski, Philip J.; Demarest, Keith T. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 21 p. 4790 - 4793
  • Route3
    • (4-Fluoro-2-nitrophenyl)methanamine|CS-0776840
      131780-97-7
    • ~%
    • 4-Fluoro-N1-methylbenzene-1,2-diamine|CS-0208466
      401567-10-0

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2012/28932 A1, 2012 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   1.4496
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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