Product Name

  • Name

    3-(2-Chloro-phenyl)-1h-pyrazole

  • EINECS
  • CAS No. 59843-55-9
  • Article Data2
  • CAS DataBase
  • Density 1.292 g/cm3
  • Solubility
  • Melting Point 76-77
  • Formula C9H7ClN2
  • Boiling Point 346 °C at 760 mmHg
  • Molecular Weight 178.621
  • Flash Point 193.8 °C
  • Transport Information
  • Appearance
  • Safety
    Hazard Codes Xi
    Hazard Note Irritant
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 59843-55-9 (3-(2-Chloro-phenyl)-1h-pyrazole)
  • Hazard Symbols IrritantXi
  • Synonyms 3-(2-CHLORO-PHENYL)-1H-PYRAZOLE;3-(2-CHLOROPHENYL)PYRAZOLE;BUTTPARK 24\09-55;5-(2-Chlorophenyl)-1H-pyrazole;1-Chloro-2-(1H-pyrazol-3-yl)benzene
  • PSA 28.68000
  • LogP 2.73010

3-(2-Chloro-phenyl)-1h-pyrazole Specification

The 3-(2-Chloro-phenyl)-1h-pyrazole with CAS registry number of 59843-55-9 is also known as 3-(2-Chlorophenyl)pyrazole. Its systematic name is 5-(2-Chlorophenyl)-1H-pyrazole. Besides, the formula is C9H7ClN2 and the molecular weight is 178.62.

Physical properties about 3-(2-Chloro-phenyl)-1h-pyrazole are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.3; (6)ACD/BCF (pH 7.4): 51.31; (7)ACD/KOC (pH 5.5): 583.06; (8)ACD/KOC (pH 7.4): 583.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 48.26 cm3; (15)Molar Volume: 138.2 cm3; (16)Polarizability: 19.13×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 193.8 °C; (20)Enthalpy of Vaporization: 56.68 kJ/mol; (21)Boiling Point: 346 °C at 760 mmHg; (22)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1. SMILES: Clc1ccccc1c2ccnn2
2. InChI: InChI=1/C9H7ClN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H,(H,11,12)
3. InChIKey: DWBQZNMWKPXWEK-UHFFFAOYAL
4. Std. InChI: InChI=1S/C9H7ClN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H,(H,11,12)
5. Std. InChIKey: DWBQZNMWKPXWEK-UHFFFAOYSA-N

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