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CAS No.: | 912569-59-6 |
---|---|
Name: | 3-(1-Methyl-1H-pyrazol-3-yl)benzenesulphonyl chloride |
Molecular Structure: | |
Formula: | C10H9ClN2O2S |
Molecular Weight: | 256.70866 |
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 |
Density: | 1.41g/cm3 |
Melting Point: | 76.5-78.5°C |
Boiling Point: | 421.2 °C at 760 mmHg |
Flash Point: | 208.5 °C |
Hazard Symbols: | C |
PSA: | 60.34000 |
LogP: | 3.09540 |
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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