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| CAS No.: | 478264-00-5 |
|---|---|
| Name: | 6-Methylpyridine-3-sulfonyl chloride |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H6ClNO2S |
| Molecular Weight: | 191.638 |
| Synonyms: | 3-Pyridinesulfonyl chloride, 6-methyl-; |
| Density: | 1.413 g/cm3 |
| Boiling Point: | 280.101 °C at 760 mmHg |
| Flash Point: | 123.201 °C |
| PSA: | 55.41000 |
| LogP: | 2.39830 |
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Specification
The 6-Methylpyridine-3-sulfonyl chloride, with the CAS registry number 478264-00-5, is also known as 3-Pyridinesulfonyl chloride, 6-methyl-. This chemical's molecular formula is C6H6ClNO2S and molecular weight is 191.64. What's more, its IUPAC name is the same with its product name.
Physical properties about 6-Methylpyridine-3-sulfonyl chloride are: (1)ACD/LogP: 0.768; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.26; (6)ACD/BCF (pH 7.4): 2.26; (7)ACD/KOC (pH 5.5): 62.34; (8)ACD/KOC (pH 7.4): 62.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 42.823 cm3; (15)Molar Volume: 135.588 cm3; (16)Polarizability: 16.976×10-24cm3; (17)Surface Tension: 47.531 dyne/cm; (18)Density: 1.413 g/cm3; (19)Flash Point: 123.201 °C; (20)Enthalpy of Vaporization: 49.797 kJ/mol; (21)Boiling Point: 280.101 °C at 760 mmHg; (22)Vapour Pressure: 0.00700 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1cnc(C)cc1
(2) InChI: InChI=1S/C6H6ClNO2S/c1-5-2-3-6(4-8-5)11(7,9)10/h2-4H,1H3
(3) InChIKey: TWKVSHBWJUMVDX-UHFFFAOYSA-N