Product Name

  • Name

    SC-560

  • EINECS
  • CAS No. 188817-13-2
  • Article Data6
  • CAS DataBase
  • Density 1.33 g/cm3
  • Solubility
  • Melting Point 63 °C
  • Formula C17H12ClF3N2O
  • Boiling Point 440.6 °C at 760 mmHg
  • Molecular Weight 352.743
  • Flash Point 220.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 188817-13-2 (SC-560)
  • Hazard Symbols IrritantXi
  • Synonyms SC 560;5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole;5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole;
  • PSA 27.05000
  • LogP 5.22010

SC-560 Specification

The 1H-Pyrazole,5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-, with the CAS registry number 188817-13-2, is also known as 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole. This chemical's molecular formula is C17H12ClF3N2O and molecular weight is 352.74. What's more, its systematic name is 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole and its storage temperature is 2-8 °C.

Physical properties of 1H-Pyrazole,5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)- are: (1)ACD/LogP: 5.82; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 27.05 Å2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 86.2 cm3; (9)Molar Volume: 265.2 cm3; (10)Polarizability: 34.17×10-24 cm3; (11)Surface Tension: 37.4 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 220.3 °C; (14)Enthalpy of Vaporization: 67.08 kJ/mol; (15)Boiling Point: 440.6 °C at 760 mmHg; (16)Vapour Pressure: 1.51E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2nn(c1ccc(OC)cc1)c(c2)c3ccc(Cl)cc3
(2)InChI: InChI=1/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
(3)InChIKey: PQUGCKBLVKJMNT-UHFFFAOYSA-N

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