Cas no 1004643-64-4 (1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid)

1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid structure
1004643-64-4 structure
Product Name:1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CAS No:1004643-64-4
MF:C6H6F2N2O2
MW:176.120848178864
MDL:MFCD04970128
CID:1125776
PubChem ID:7017759
Update Time:2025-04-20

1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
    • AKOS B021062
    • ART-CHEM-BB B021062
    • 1-(Difluoromethyl)-5-methyl-pyrazole-3-carboxylic acid
    • 1-DIFLUOROMETHYL-5-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID
    • 1H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)-5-methyl-
    • 1-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid
    • STK312278
    • SBB022342
    • ST45091317
    • 1-DIFLUOROMETHYL-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
    • SB85459
    • DS-020534
    • CS-W020728
    • ALBB-033746
    • AKOS000310593
    • S10059
    • 1-(difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylicacid
    • Z1198164965
    • EN300-83728
    • SY069604
    • CS-13270
    • MFCD04970128
    • DTXSID301197100
    • 1004643-64-4
    • BBL038581
    • MDL： MFCD04970128
    • Inchi： 1S/C6H6F2N2O2/c1-3-2-4(5(11)12)9-10(3)6(7)8/h2,6H,1H3,(H,11,12)
    • InChI Key： TUXYFJUEAARJQQ-UHFFFAOYSA-N
    • SMILES： FC(N1C(C)=CC(C(=O)O)=N1)F

Computed Properties

  • Exact Mass: 176.03973376g/mol
  • Monoisotopic Mass: 176.03973376g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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: 55.1
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.52±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 275.8±40.0 oC (760 Torr),
  • Flash Point: 120.6±27.3 oC,
  • Solubility: Slightly soluble (4.6 g/l) (25 o C),

1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid Pricemore >>

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