Product Name

  • Name

    3-(1-Methyl-1H-pyrazol-3-yl)benzenesulphonyl chloride

  • EINECS
  • CAS No. 912569-59-6
  • Density 1.41g/cm3
  • Solubility
  • Melting Point 76.5-78.5°C
  • Formula C10H9ClN2O2S
  • Boiling Point 421.2 °C at 760 mmHg
  • Molecular Weight 256.70866
  • Flash Point 208.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 912569-59-6 (3-(1-Methyl-1H-pyrazol-3-yl)benzenesulphonyl chloride)
  • Hazard Symbols CorrosiveC
  • Synonyms 3-(1-Methyl-1H-pyrazol-3-yl)benzenesulphonyl chloride;3-(1-Methyl-1H-pyrazol-3-yl)benzenesulphonyl chloride 97%;3-(1-METHYL-1H-PYRAZOL-3-YL)BENZENESULFONYL CHLORIDE;3-[3-(Chlorosulphonyl)phenyl]-1-methyl-1H-pyrazole
  • PSA 60.34000
  • LogP 3.09540

Benzenesulfonyl chloride, 3-(1-methyl-1H-pyrazol-3-yl)- Specification

The Benzenesulfonyl chloride, 3-(1-methyl-1H-pyrazol-3-yl)-, with CAS registry number 912569-59-6, has the systematic name of 3-(1-methylpyrazol-3-yl)benzenesulfonyl chloride. Besides this, it is also called 3-(1-Methyl-1H-pyrazol-3-yl)benzenesulphonyl chloride. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C10H9ClN2O2S.

Physical properties of Benzenesulfonyl chloride, 3-(1-methyl-1H-pyrazol-3-yl)-: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 60.34 Å2; (9)Index of Refraction: 1.634; (10)Molar Refractivity: 64.71 cm3; (11)Molar Volume: 180.8 cm3; (12)Polarizability: 25.65×10-24cm3; (13)Surface Tension: 52.6 dyne/cm; (14)Density: 1.41 g/cm3; (15)Flash Point: 208.5 °C; (16)Enthalpy of Vaporization: 64.9 kJ/mol; (17)Boiling Point: 421.2 °C at 760 mmHg; (18)Vapour Pressure: 6.51E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1ccc(n1)c2cccc(c2)S(=O)(=O)Cl
(2)InChI: InChI=1/C10H9ClN2O2S/c1-13-6-5-10(12-13)8-3-2-4-9(7-8)16(11,14)15/h2-7H,1H3
(3)InChIKey: QGUULJKRHYTFTP-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H9ClN2O2S/c1-13-6-5-10(12-13)8-3-2-4-9(7-8)16(11,14)15/h2-7H,1H3
(5)Std. InChIKey: QGUULJKRHYTFTP-UHFFFAOYSA-N

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