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| CAS No.: | 6579-54-0 |
|---|---|
| Name: | 2,6-dichlorobenzenesulfonyl chloride |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H3Cl3O2S |
| Molecular Weight: | 245.514 |
| Synonyms: | 2,6-Dichlorobenzenesulphonyl chloride;2,6-Dichlorobenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 2,6-dichloro-; |
| EINECS: | -0 |
| Density: | 1.636 g/cm3 |
| Melting Point: | 53-56 °C(lit.) |
| Boiling Point: | 326 °C at 760 mmHg |
| Flash Point: | 150.9 °C |
| Solubility: | Reacts with water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1759 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 4.00170 |
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Specification
The IUPAC name of this chemical is 2,6-Dichlorobenzenesulfonyl chloride. With the CAS registry number 6579-54-0, it is also named as Benzenesulfonyl chloride, 2,6-dichloro-. In addition, the molecular formula is C6H3Cl3O2S and the molecular weight is 245.51. It is sensitive with moisture and belongs to the classes of Boron, Nitrile; Halides; Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
Physical properties about this chemical are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.28; (6)ACD/BCF (pH 7.4): 67.28; (7)ACD/KOC (pH 5.5): 707.99; (8)ACD/KOC (pH 7.4): 707.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.05 cm3; (15)Molar Volume: 149.9 cm3; (16)Polarizability: 19.84 ×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.636 g/cm3; (19)Flash Point: 150.9 °C; (20)Enthalpy of Vaporization: 54.55 kJ/mol; (21)Boiling Point: 326 °C at 760 mmHg; (22)Vapour Pressure: 0.000423 mmHg at 25°C.
Uses of 2,6-Dichlorobenzenesulfonyl chloride: it can be used to get (2,6-Dichlor-phenyl)-disulfid. This reaction will need reagents SO2, H2O, HI and <(C8H17)3NCH3>+Cl-. The yield is about 97%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1c(Cl)cccc1Cl
(2)InChI: InChI=1/C6H3Cl3O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
(3)InChIKey: WGGKQIKICKLWGN-UHFFFAOYAB