4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid


Catalog No:   FT-0623696

CAS No:   88-76-6

  • Chemical Name:  4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
  • Molecular Formula:  C10H9ClN2O4S
  • Molecular Weight:  288.71
  • InChI Key:  UWLNKHDLVZEYKQ-UHFFFAOYSA-N
  • InChI:  InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)

Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 344 °C(lit.)
CAS: 88-76-6
MF: C10H9ClN2O4S
Flash_Point: N/A
Product_Name: 1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone
Density: 1.6±0.1 g/cm3
FW: 288.707
Bolling_Point: N/A
Melting_Point: 344 °C(lit.)
Refractive_Index: 1.640
MF: C10H9ClN2O4S
Exact_Mass: 287.997162
LogP: 0.82
Molecular_Structure: ['1 . Molar refractive index 6641 ', '2 . Molar volume 1754 ', '3 . Parachor (902K)4985 ', '4 . Surface tension 652 ', '5 . Polarizability 2632']
FW: 288.707
PSA: 95.42000
Density: 1.6±0.1 g/cm3
Computational_Chemistry: ['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 954 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :485 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Safety_Statements: S36/37
Hazard_Codes: Xi:Irritant;
HS_Code: 2933199090
Risk_Statements(EU): R43
WGK_Germany: 3

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