Cas no 54367-66-7 (5-chloro-1-methyl-pyrazole-4-carboxylic acid)

5-chloro-1-methyl-pyrazole-4-carboxylic acid structure
54367-66-7 structure
Product Name:5-chloro-1-methyl-pyrazole-4-carboxylic acid
CAS No:54367-66-7
MF:C5H5ClN2O2
MW:160.558399915695
MDL:MFCD02089694
CID:366522
PubChem ID:2735774
Update Time:2025-04-19

5-chloro-1-methyl-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
    • 5-chloro-1-methylpyrazole-4-carboxylic acid
    • 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-
    • PubChem23734
    • SDYOVMHXYNKROV-UHFFFAOYSA-N
    • SBB053204
    • 7841AB
    • SB12159
    • 4-Carboxy-5-chloro-1-methyl-1H-pyrazole
    • ST24044579
    • CS-0
    • 5-chloro-1-methyl-pyrazole-4-carboxylic acid
    • SY040218
    • CHEMBL2287212
    • 54367-66-7
    • AC-28851
    • CS-0063952
    • PS-10942
    • FT-0620212
    • A830125
    • SCHEMBL966692
    • BP-10532
    • F17236
    • AMY11880
    • AKOS006228033
    • J-517262
    • 5-chloro-1-methyl-4-pyrazole carboxylic acid
    • DTXSID80370935
    • EN300-151680
    • MFCD02089694
    • DB-071829
    • MDL: MFCD02089694
    • Inchi: 1S/C5H5ClN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)
    • InChI Key: SDYOVMHXYNKROV-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)C=NN1C

Computed Properties

  • Exact Mass: 160.00400
  • Monoisotopic Mass: 160.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 153
  • 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: 0.7

Experimental Properties

  • Density: 1.56±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 200-203 oC
  • Boiling Point: 315.8 ℃ at 760 mmHg
  • Flash Point: 144.8 oC
  • Refractive Index: 1.62
  • Solubility: Slightly soluble (3.9 g/l) (25 o C),
  • PSA: 55.12000
  • LogP: 0.77170

5-chloro-1-methyl-pyrazole-4-carboxylic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

5-chloro-1-methyl-pyrazole-4-carboxylic acid Pricemore >>

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