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941716-85-4

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Basic Information
CAS No.: 941716-85-4
Name: 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulphonyl chloride
Molecular Structure:
Molecular Structure of 941716-85-4 (3-(1-Methyl-1H-pyrazol-5-yl)benzenesulphonyl chloride)
Formula: C10H9ClN2O2S
Molecular Weight: 256.7087
Synonyms: 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulphonyl chloride 97%;
Density: 1.41 g/cm3
Boiling Point: 421.2 °C at 760 mmHg
Flash Point: 208.5 °C
Hazard Symbols: CorrosiveC
PSA: 60.34000
LogP: 3.09540
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Specification

The Benzenesulfonylchloride, 3-(1-methyl-1H-pyrazol-5-yl)-, with the CAS registry number 941716-85-4, is also known as 3-(1-Methyl-1H-pyrazol-5-yl)benzenesulphonyl chloride 97%. This chemical's molecular formula is C10H9ClN2O2S and molecular weight is 256.70866. Its IUPAC name is called 3-(2-methylpyrazol-3-yl)benzenesulfonyl chloride. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c(ccn1)c2cccc(c2)S(=O)(=O)Cl
(2)InChI: InChI=1/C10H9ClN2O2S/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)16(11,14)15/h2-7H,1H3
(3)InChIKey: XVYMMAKBNVXHKR-UHFFFAOYAF