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2-Pyridinesulfonylchloride, 4-methyl-

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Name

2-Pyridinesulfonylchloride, 4-methyl-

EINECS
CAS No. 341008-95-5 Density 1.413 g/cm3
Solubility Melting Point
Formula C6H6ClNO2S Boiling Point 314.1 °C at 760 mmHg
Molecular Weight 191.64 Flash Point 143.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 341008-95-5 (2-Pyridinesulfonylchloride, 4-methyl-) Hazard Symbols
Synonyms

4-Methylpyridine-2-sulfonyl chloride;Chloro(4-methyl(2-pyridyl))sulfone;

 

2-Pyridinesulfonylchloride, 4-methyl- Specification

The 2-Pyridinesulfonylchloride, 4-methyl-, with the CAS registry number 341008-95-5, is also known as Chloro(4-methyl(2-pyridyl))sulfone. This chemical's molecular formula is C6H6ClNO2S and molecular weight is 191.64. What's more, its systematic name is 4-Methylpyridine-2-sulfonyl chloride. 

Physical properties of 2-Pyridinesulfonylchloride, 4-methyl- are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/BCF (pH 5.5): 3.13; (5)ACD/KOC (pH 5.5): 78.81; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.41 Å2; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 42.82 cm3; (12)Molar Volume: 135.5 cm3; (13)Polarizability: 16.97×10-24cm3; (14)Surface Tension: 47.5 dyne/cm; (15)Density: 1.413 g/cm3; (16)Flash Point: 143.8 °C; (17)Enthalpy of Vaporization: 53.31 kJ/mol; (18)Boiling Point: 314.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000878 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1)S(=O)(=O)Cl
(2)InChI: InChI=1S/C6H6ClNO2S/c1-5-2-3-8-6(4-5)11(7,9)10/h2-4H,1H3
(3)InChIKey: YIQOZBGOBMKGRZ-UHFFFAOYSA-N

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