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CS-W001157 4
Total: USD 88.00

4-Chloro-2-methyl-5-nitrobenzoic acid

  • CAS No. 476660-41-0

  • Cat. No. CS-0043487
  • Purity≥98%
  • MDL No.MFCD18071079

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

4-Chloro-2-methyl-5-nitrobenzoic acid|CS-0043487

Structure of 476660-41-0

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General Information

  • CAS No. 476660-41-0
  • Cat. No. CS-0043487
  • Purity ≥98%
  • MDL No. MFCD18071079
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₄
  • Molecular Weight 215.59
  • Synonym(s) 4-Chloro-5-nitro-o-toluic acid, 2-Carboxy-5-chloro-4-nitrotoluene
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=C(Cl)C=C1C

Synthesis

  • Route1
    • In-stock
      4-Chloro-2-methylbenzoic acid|CS-W008346
      7499-07-2
    • ~%
    • 4-Chloro-2-methyl-3-nitrobenzoic acid|CS-0569000
      950915-10-3
    • In-stock
      4-Chloro-2-methyl-5-nitrobenzoic acid|CS-0043487
      476660-41-0

    References

    • Claus; Stapelberg Justus Liebigs Annalen der Chemie, 1893 , vol. 274, p. 291
  • Route2

    References

    • Claus; Stapelberg Justus Liebigs Annalen der Chemie, 1893 , vol. 274, p. 291
  • Route3

    References

    • Claus; Stapelberg Justus Liebigs Annalen der Chemie, 1893 , vol. 274, p. 291

Safety Information

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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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.25482
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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