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| CAS No.: | 63624-28-2 |
|---|---|
| Name: | 2,4-DIMETHOXYBENZENESULFONYL CHLORIDE |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C8H9ClO4S |
| Molecular Weight: | 236.676 |
| Synonyms: | 2,4-Dimethoxybenzene-1-sulfonylchloride;2,4-Dimethoxybenzenesulfonyl chloride;2,4-Dimethoxyphenylsulfonylchloride; |
| Density: | 1.359 g/cm3 |
| Melting Point: | 69-71 °C |
| Boiling Point: | 363.6 °C at 760 mmHg |
| Flash Point: | 173.7 °C |
| Solubility: | reacts with water |
| Appearance: | powder |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34-43 |
| Safety: | 45-36/37/39-3-26 |
| Transport Information: | 3261 |
| PSA: | 60.98000 |
| LogP: | 2.71210 |
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Specification
With the CAS registry number 63624-28-2, the IUPAC name of Benzenesulfonyl chloride, 2,4-dimethoxy- is 2,4-dimethoxybenzenesulfonyl chloride. The product's categories are Sulfonylhalide; Benzenesulfonyl Chloride; Heterocyclic Compounds; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. It is powder which is sensitive to moisture. Additioanlly, this chemical should be sealed in the container which is filled with inert gas and stored in the cool and dry place.
The other characteristics of Benzenesulfonyl chloride, 2,4-dimethoxy- can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.03; (6)ACD/BCF (pH 7.4): 33.03; (7)ACD/KOC (pH 5.5): 425.48; (8)ACD/KOC (pH 7.4): 425.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 53.13 cm3; (14)Molar Volume: 174 cm3; (15)Polarizability: 21.06×10-24 cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Enthalpy of Vaporization: 58.57 kJ/mol; (18)Vapour Pressure: 3.74E-05 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 235.991007; (21)MonoIsotopic Mass: 235.991007; (22)Topological Polar Surface Area: 61; (23)Heavy Atom Count: 14; (24)Complexity: 272.
When you are using this chemical, please be cautious about it as the following:
It can cause burns and may cause sensitization by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:ClS(=O)(=O)c1ccc(OC)cc1OC
2. InChI:InChI=1/C8H9ClO4S/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3
3. InChIKey:AYGZKRRIULCJKC-UHFFFAOYAM