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CS-W001157 4
Total: USD 88.00

(E)-Methyl 4,4,4-trifluorobut-2-enoate

  • CAS No. 85694-31-1

  • Cat. No. CS-0541703
  • Molecule weight154.09
  • Purity≥98%
  • MDL No.MFCD26794215

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

(E)-Methyl 4,4,4-trifluorobut-2-enoate|CS-0541703

Structure of 85694-31-1

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General Information

  • CAS No. 85694-31-1
  • Cat. No. CS-0541703
  • Purity ≥98%
  • MDL No. MFCD26794215
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅F₃O₂
  • Molecular Weight 154.09
  • Synonym(s) Methyl 4,4,4-trifluorocrotonate
  • SMILES O=C(/C=C/C(F)(F)F)OC

Synthesis

  • Route1

    References

    • Aoyagi, Katsuhiro; Haga, Toshihiko; Toi, Hiroo; Aoyama, Yasuhiro; Mizutani, Tadashi; Ogoshi, Hisanobu Bulletin of the Chemical Society of Japan, 1997 , vol. 70, # 4 p. 937 - 943
  • Route2
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      292638-85-8
    • null|null
      76-05-1
    • ~%
    • (E)-Methyl 4,4,4-trifluorobut-2-enoate|CS-0541703
      85694-31-1

    References

    • Canadian Journal of Chemistry, , vol. 53, p. 529 - 534

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.2779
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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