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CS-W001157 4
Total: USD 88.00

IR-820

  • CAS No. 172616-80-7

  • Cat. No. CS-0134264
  • Purity≥96%
  • MDL No.MFCD04038859

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

IR-820|CS-0134264

Structure of 172616-80-7

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General Information

  • CAS No. 172616-80-7
  • Cat. No. CS-0134264
  • Purity ≥96%
  • MDL No. MFCD04038859
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₆H₅₀ClN₂NaO₆S₂
  • Molecular Weight 849.47
  • Synonym(s) New Indocyanine Green
  • SMILES CC1(C(C2=CC=CC=C2C=C3)=C3[N+](CCCC[S](=O)([O-])=O)=C1/C=C/C(CCC/C4=C\C=C(C5(C)C)/N(C6=C5C7=CC=CC=C7C=C6)CCCC[S](=O)(O[Na])=O)=C4Cl)C

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   106.82
  • LogP   9.7458
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   14

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