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CS-W001157 4
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4-Nitrobenzyl 4-methylbenzenesulfonate

  • CAS No. 4450-68-4

  • Cat. No. CS-0902629
  • Molecule weight307.32
  • Purity≥98%
  • MDL No.MFCD01732652

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

4-Nitrobenzyl 4-methylbenzenesulfonate|CS-0902629

Structure of 4450-68-4

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General Information

  • CAS No. 4450-68-4
  • Cat. No. CS-0902629
  • Purity ≥98%
  • MDL No. MFCD01732652
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₅S
  • Molecular Weight 307.32
  • Synonym(s) None
  • SMILES O=N(=O)C1=CC=C(C=C1)COS(=O)(=O)C2=CC=C(C=C2)C

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   2.80872
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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