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| CAS No.: | 126519-89-9 |
|---|---|
| Name: | 2-(4-CHLOROSULPHONYLPHENYL)ETHYLTRIMETHOXYSILANE50% IN METHYLENE CHLORIDE |
| Molecular Structure: | |
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| Formula: | C11H17ClO5SSi |
| Molecular Weight: | 324.857 |
| Synonyms: | 4-[2-(Trimethoxysilyl)ethyl]benzenesulfonyl chloride; |
| Density: | 1.234 g/cm3 |
| Boiling Point: | 348.285 °C at 760 mmHg |
| Flash Point: | 164.437 °C |
| Appearance: | clear yellow solution |
| Hazard Symbols: | R34-36/37/38-40:; |
| Risk Codes: | 34-36/37/38-40 |
| Safety: | 23-26-36/37/39-45 |
| PSA: | 70.21000 |
| LogP: | 3.11550 |
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Specification
The 2-(4-Chlorosulfonylphenyl)ethyltrimethoxysilane, with the CAS registry number 126519-89-9, is also known as Benzenesulfonylchloride, 4-[2-(trimethoxysilyl)ethyl]-. This chemical's molecular formula is C11H17ClO5SSi and molecular weight is 324.85. What's more, its systematic name is 4-[2-(Trimethoxysilyl)ethyl]benzenesulfonyl chloride.
Physical properties of 2-(4-Chlorosulfonylphenyl)ethyltrimethoxysilane are: (1)ACD/LogP: 2.098; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.10; (4)ACD/LogD (pH 7.4): 2.10; (5)ACD/BCF (pH 5.5): 23.13; (6)ACD/BCF (pH 7.4): 23.13; (7)ACD/KOC (pH 5.5): 329.72; (8)ACD/KOC (pH 7.4): 329.72; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.21 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 77.528 cm3; (15)Molar Volume: 263.25 cm3; (16)Polarizability: 30.735×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 164.437 °C; (20)Enthalpy of Vaporization: 56.924 kJ/mol; (21)Boiling Point: 348.285 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes, respiratory system and skin. It has a limited evidence of a carcinogenic effect. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc(cc1)CC[Si](OC)(OC)OC
(2)Std. InChI: InChI=1S/C11H17ClO5SSi/c1-15-19(16-2,17-3)9-8-10-4-6-11(7-5-10)18(12,13)14/h4-7H,8-9H2,1-3H3
(3)Std. InChIKey: NYIDSUMRGUILGR-UHFFFAOYSA-N