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CS-W001157 4
Total: USD 88.00

3,5-Bis(bromomethyl)benzoic acid

  • CAS No. 94111-75-8

  • Cat. No. CS-0535468
  • Molecule weight307.97
  • Purity≥98%
  • MDL No.None

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

3,5-Bis(bromomethyl)benzoic acid|CS-0535468

Structure of 94111-75-8

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General Information

  • CAS No. 94111-75-8
  • Cat. No. CS-0535468
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈Br₂O₂
  • Molecular Weight 307.97
  • Synonym(s) None
  • SMILES C1=C(C=C(C=C1CBr)C(=O)O)CBr

Synthesis

  • Route1

    References

    • Young, Richard; Chang, C. K. Journal of the American Chemical Society, 1985 , vol. 107, # 4 p. 898 - 909
  • Route2
    • 3,5-Bis(hydroxymethyl)benzoic acid|CS-0141282
      123065-60-1
    • ~87%
    • In-stock
      3,5-Bis(bromomethyl)benzoic acid|CS-0535468
      94111-75-8

    References

    • Nakhle, Bassam M.; Trammell, Scott A.; Sigel, Keith M.; Meyer, Thomas J.; Erickson, Bruce W. Tetrahedron, 1999 , vol. 55, # 10 p. 2835 - 2846
  • Route3

    References

    • Nakhle, Bassam M.; Trammell, Scott A.; Sigel, Keith M.; Meyer, Thomas J.; Erickson, Bruce W. Tetrahedron, 1999 , vol. 55, # 10 p. 2835 - 2846

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+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.1746
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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