Cas no 129849-05-4 (1,1,1-Trifluoro-methanesulfonic Acid 2-Acetylphenyl Ester)

1,1,1-Trifluoro-methanesulfonic Acid 2-Acetylphenyl Ester structure
129849-05-4 structure
Product Name:1,1,1-Trifluoro-methanesulfonic Acid 2-Acetylphenyl Ester
CAS No:129849-05-4
MF:C9H7F3O4S
MW:268.209692239761
CID:1225163
PubChem ID:11288625
Update Time:2025-04-20

1,1,1-Trifluoro-methanesulfonic Acid 2-Acetylphenyl Ester Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, 2-acetylphenyl ester
    • 2-Acetylphenyl trifluoromethanesulfonate
    • 129849-05-4
    • AKOS040767480
    • BS-52852
    • F71639
    • 2-Acetylphenyltrifluoromethanesulfonate
    • (2-acetylphenyl) trifluoromethanesulfonate
    • NMANWNFIUPECMF-UHFFFAOYSA-N
    • 1,1,1-Trifluoro-methanesulfonic Acid 2-Acetylphenyl Ester
    • Inchi： 1S/C9H7F3O4S/c1-6(13)7-4-2-3-5-8(7)16-17(14,15)9(10,11)12/h2-5H,1H3
    • InChI Key： NMANWNFIUPECMF-UHFFFAOYSA-N
    • SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C(C)=O

Computed Properties

  • Exact Mass: 268.00171436g/mol
  • Monoisotopic Mass: 268.00171436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 382
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 68.8?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 314.4±42.0 °C at 760 mmHg
  • Flash Point: 144.0±27.9 °C
  • Solubility: All Organic Solvents
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1,1,1-Trifluoro-methanesulfonic Acid 2-Acetylphenyl Ester Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T897558-5g
1,?1,?1-?Trifluoro-?methanesulfonic Acid 2-?Acetylphenyl Ester
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 $64.00 2023-05-17
TRC
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T897558-25g
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 $ 110.00 2022-06-02
eNovation Chemicals LLC
Y1243151-100mg
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 $55 2024-06-05
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Y1243151-250mg
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 129849-05-4 97%
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Y1243151-1g
2-Acetylphenyl trifluoromethanesulfonate
 129849-05-4 97%
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Y1243151-25g
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 129849-05-4 97%
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 $285 2025-02-26
eNovation Chemicals LLC
Y1243151-10g
2-Acetylphenyl trifluoromethanesulfonate
 129849-05-4 97%
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 129849-05-4 97%
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 $105 2025-02-26
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Y1243151-1g
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 129849-05-4 97%
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