Cas no 925890-13-7 (2-nitro-3,4,5-trifluoroanisole)

2-nitro-3,4,5-trifluoroanisole structure
925890-13-7 structure
Product Name:2-nitro-3,4,5-trifluoroanisole
CAS No:925890-13-7
MF:C7H4F3NO3
MW:207.106772422791
MDL:MFCD09025341
CID:796807
PubChem ID:26596869
Update Time:2024-10-26

2-nitro-3,4,5-trifluoroanisole Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Trifluoro-5-methoxy-4-nitrobenzene
    • 2-Nitro-3,4,5-trifluoroanisole
    • Benzene,1,2,3-trifluoro-5-methoxy-4-nitro-
    • 1,2,3-trifluoro-5-methoxy-4-nitro-benzene
    • PubChem14032
    • ZSOYSDLZDZGEFC-UHFFFAOYSA-N
    • FCH1390154
    • AS02408
    • CM11795
    • AM82871
    • 123-Trifluoro-5-methoxy-4-nitrobenzene
    • PC305001
    • ST2414733
    • AX8036464
    • AB0007753
    • W9551
    • 3,4,5-trifluoro-2-nitro-phenyl methyl ether
    • S-
    • 1,2,3-Trifluoro-5-methoxy-4-nitrobenzene (ACI)
    • DTXSID90650159
    • SY022947
    • AKOS015890592
    • SCHEMBL11909148
    • CS-0008646
    • 925890-13-7
    • 1 pound not2 pound not3-Trifluoro-5-methoxy-4-nitrobenzene
    • DS-13496
    • MFCD09025341
    • DB-079352
    • 2-nitro-3,4,5-trifluoroanisole
    • MDL: MFCD09025341
    • Inchi: 1S/C7H4F3NO3/c1-14-4-2-3(8)5(9)6(10)7(4)11(12)13/h2H,1H3
    • InChI Key: ZSOYSDLZDZGEFC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(OC)=CC(F)=C(F)C=1F)=O

Computed Properties

  • Exact Mass: 207.014
  • Monoisotopic Mass: 207.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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
  • Topological Polar Surface Area: 55
  • XLogP3: 2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid
  • Density: 1.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 258℃ at 760 mmHg
  • Flash Point: 109.8±25.9 °C
  • Refractive Index: 1.484
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

2-nitro-3,4,5-trifluoroanisole Security Information

2-nitro-3,4,5-trifluoroanisole Pricemore >>

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2-nitro-3,4,5-trifluoroanisole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  2 h, rt → reflux
Reference
Preparation of macrocyclic sulfonamides as MEK inhibitors for the treatment of cardiomyopathy and other diseases
, United States, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  2 h, rt → reflux; cooled
Reference
Sulfonamide derivatives as MEK inhibitors and their preparation, pharmaceutical compositions and use in the treatment of diseases
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
Reference
Mek inhibitors useful in the treatment of diseases
, United States, , ,

2-nitro-3,4,5-trifluoroanisole Raw materials

2-nitro-3,4,5-trifluoroanisole Preparation Products

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