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| CAS No.: | 13108-52-6 |
|---|---|
| Name: | Methyl 2,3,5,6-tetrachloro-4-pyridyl sulfone |
| Molecular Structure: | |
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| Formula: | C6H3Cl4NO2S |
| Molecular Weight: | 294.973 |
| Synonyms: | 2,3,5,6-Tetrachloro-4-(methanesulfonyl)-pyridine;2,3,5,6-Tetrachloro-4-(methylsulfonyl)pyridine;4-(Methylsulfonyl)-2,3,5,6-tetrachloropyridine;Algophase;Algophase PH025/d;Densil S;Densil S 100;Densil S 25;Dowco 282;Dowicil S 13;SA 1013;TCMS pyridine; |
| EINECS: | 236-035-5 |
| Density: | 1.713 g/cm3 |
| Melting Point: | 148 °C |
| Boiling Point: | 451.095 °C at 760 mmHg |
| Flash Point: | 226.614 °C |
| Appearance: | White powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 21/22-36-43 |
| Safety: | 26-28 |
| PSA: | 55.41000 |
| LogP: | 4.17950 |
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2,3,5,6-tetrachloro-4-methylmercaptopyridine
- 13108-52-6
2,3,5,6-tetrachloro-4-(methylsulfonyl)pyridine
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; Solvent; Cooling with ice; | 96% |
| With sodium tungstate; dihydrogen peroxide; acetic acid In water at 30 - 85℃; Temperature; Large scale; | 92.3% |
- 7120-86-7
5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- 13108-52-6
2,3,5,6-tetrachloro-4-(methylsulfonyl)pyridine
- 68617-96-9
5-tert-butyl-3-(2,3,5,6-tetrachloro-pyridin-4-yl)-3H-[1,3,4]oxadiazol-2-one
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N,N,N,N,N-hexamethylphosphoric triamide; 1,2-dimethoxyethane Heating; |
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Specification
The 2,3,5,6-Tetrachloro-4-(methylsulfonyl)pyridine, with the CAS registry number 13108-52-6, is also known as 4-(Methylsulfonyl)-2,3,5,6-tetrachloropyridine. Its EINECS registry number is 236-035-5. This chemical's molecular formula is C6H3Cl4NO2S and molecular weight is 294.97052. Its IUPAC name is called 2,3,5,6-tetrachloro-4-methylsulfonylpyridine. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 2,3,5,6-Tetrachloro-4-(methylsulfonyl)pyridine: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.46; (4)ACD/BCF (pH 5.5): 43.25; (5)ACD/BCF (pH 7.4): 43.25; (6)ACD/KOC (pH 5.5): 515.99; (7)ACD/KOC (pH 7.4): 515.99; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 57.3 cm3; (12)Molar Volume: 172.2 cm3; (13)Surface Tension: 54.2 dyne/cm; (14)Density: 1.712 g/cm3; (15)Flash Point: 226.6 °C; (16)Enthalpy of Vaporization: 68.28 kJ/mol; (17)Boiling Point: 451.1 °C at 760 mmHg; (18)Vapour Pressure: 6.68E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. In addition, it is irritating to eyes. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=C(C(=NC(=C1Cl)Cl)Cl)Cl
(2)InChI: InChI=1S/C6H3Cl4NO2S/c1-14(12,13)4-2(7)5(9)11-6(10)3(4)8/h1H3
(3)InChIKey: NMCCNOZOBBWFMN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 770mg/kg (770mg/kg) | Nichidai Igaku Zasshi. Nihon University Medical Journal. Vol. 40, Pg. 329, 1981. |