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CS-W001157 4
Total: USD 88.00

2,6-Dichloro-4-cyanobenzoic acid

  • CAS No. 1258298-05-3

  • Cat. No. CS-0052134
  • Purity≥97%
  • MDL No.None

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

2,6-Dichloro-4-cyanobenzoic acid|CS-0052134

Structure of 1258298-05-3

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General Information

  • CAS No. 1258298-05-3
  • Cat. No. CS-0052134
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃Cl₂NO₂
  • Molecular Weight 216.02
  • Synonym(s) 4-Cyano-2,6-dichlorobenzoic acid
  • SMILES OC(=O)C1=C(Cl)C=C(C=C1Cl)C#N

Synthesis

  • Route1

    References

    • Daiichi Sankyo Company, Limited; Verma, Ashwani Kumar; Nagaswamy, Kumaragurubaran; Sharma, Lalima; Ghosh, Soma; Kale, Balkrishna Ramchandra; Mondal, Aniruddha; Srivastava, Punit Kumar; Dastidar, Sunanda Ghosh; Momin, Rijwan Jaffer; Wagh, Pradip Balu; Pansare, Sonali Nanasaheb; Markad, Pramod Raosaheb; Khairnar, Yogesh Balasaheb; Miyauchi, Rie; Murata, Takeshi; Ishizaki, Masayuki; Nagamochi, Masatoshi; Iimura, Shin Patent: US2014/155398 A1, 2014 ; Location in patent: Page/Page column ;
  • Route2
    • Methyl 4-carbamoyl-2,6-dichlorobenzoate|CS-0664854
      409127-31-7
    • ~%
    • 2,6-Dichloro-4-cyanobenzoic acid|CS-0052134
      1258298-05-3

    References

    • DAIICHI SANKYO COMPANY, LIMITED; VERMA, Ashwani, Kumar; NAGASWAMY, Kumaragurubaran; SHARMA, Lalima; GHOSH, Soma; KALE, Balkrishna, Ramchandra; MONDAL, Aniruddha; SRIVASTAVA, Punit, Kumar; DASTIDAR, Sunanda, Ghosh; MIYAUCHI, Rie; MURATA, Takeshi; ISHIZAKI, Masayuki; NAGAMOCHI, Masatoshi; IIMURA, Shin; MOMIN, Rijwan, Jaffer; WAGH, Pradip, Balu; PANSARE, Sonali, Nanasaheb; MARKAD, Pramod, Raosaheb; KHAIRNAR, Yogesh, Balasaheb Patent: WO2012/160464 A1, 2012 ; WO 2012/160464 A1
  • Route3

    References

    • Liang, Jun; Van Abbema, Anne; Balazs, Mercedesz; Barrett, Kathy; Berezhkovsky, Leo; Blair, Wade; Chang, Christine; Delarosa, Donnie; Devoss, Jason; Driscoll, Jim; Eigenbrot, Charles; Ghilardi, Nico; Gibbons, Paul; Halladay, Jason; Johnson, Adam; Kohli, Pawan Bir; Lai, Yingjie; Liu, Yanzhou; Lyssikatos, Joseph; Mantik, Priscilla; Menghrajani, Kapil; Murray, Jeremy; Peng, Ivan; Sambrone, Amy; Shia, Steven; Shin, Young; Smith, Jan; Sohn, Sue; Tsui, Vickie; Ultsch, Mark; Wu, Lawren C.; Xiao, Yisong; Yang, Wenqian; Young, Judy; Zhang, Birong; Zhu, Bing-Yan; Magnuson, Steven Journal of Medicinal Chemistry, 2013 , vol. 56, # 11 p. 4521 - 4536

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   61.09
  • LogP   2.56328
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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