Cas no 188047-58-7 (1H-Pyrazole-4-carbonyl chloride, 5-chloro-3-methyl-1-phenyl-)

1H-Pyrazole-4-carbonyl chloride, 5-chloro-3-methyl-1-phenyl- structure
188047-58-7 structure
Product Name:1H-Pyrazole-4-carbonyl chloride, 5-chloro-3-methyl-1-phenyl-
CAS No:188047-58-7
MF:C11H8Cl2N2O
MW:255.10002040863
CID:1379939
Update Time:2024-08-16

1H-Pyrazole-4-carbonyl chloride, 5-chloro-3-methyl-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carbonyl chloride, 5-chloro-3-methyl-1-phenyl-
    • Inchi: 1S/C11H8Cl2N2O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,1H3
    • InChI Key: PTBNUSNSZVQIBC-UHFFFAOYSA-N
    • SMILES: C(Cl)(C1=C(Cl)N(C2=CC=CC=C2)N=C1C)=O

Computed Properties

  • Exact Mass: 254.00154

Experimental Properties

  • Density: 1.39±0.1 g/cm3(Predicted)
  • Melting Point: 97 °C
  • Boiling Point: 366.7±37.0 °C(Predicted)
  • PSA: 34.89
  • pka: -5.05±0.10(Predicted)
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