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CS-W001157 4
Total: USD 88.00

Theobromine

  • CAS No. 83-67-0

  • Cat. No. CS-7972
  • Purity≥98%
  • MDL No.MFCD00022830

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

Theobromine|CS-7972

Structure of 83-67-0

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General Information

  • CAS No. 83-67-0
  • Cat. No. CS-7972
  • Purity ≥98%
  • MDL No. MFCD00022830
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₄O₂
  • Molecular Weight None
  • Synonym(s) 3,7-Dimethylxanthine
  • SMILES O=C(N1)N(C)C2=C(N(C)C=N2)C1=O

Description

.

Synthesis

  • Route1
    • null|null
      14785-95-6
    • null|null
      77-78-1
    • ~%
    • In-stock
      Theobromine|CS-7972
      83-67-0

    References

    • Tetrahedron Letters, , vol. 47, # 5 p. 775 - 778
  • Route2
    • null|null
      14785-95-6
    • ~%
    • In-stock
      Theobromine|CS-7972
      83-67-0

    References

    • Zhurnal Obshchei Khimii, , vol. 16, p. 179,183 Chem.Abstr., , p. 96
  • Route3
    • null|null
      117882-90-3
    • ~%
    • In-stock
      Theobromine|CS-7972
      83-67-0

    References

    • Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), , vol. 31, p. 1241,1244;engl.Ausg.S.1230,1232

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H341-H361
Precautionary Statements : P264-P270-P280-P301+P310-P308+P313-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.68
  • LogP   -1.0397
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   0

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