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| CAS No.: | 24053-96-1 |
|---|---|
| Name: | adamantane-1-sulfonyl chloride |
| Molecular Structure: | |
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| Formula: | C10H15ClO2S |
| Molecular Weight: | 234.747 |
| Synonyms: | 1-Adamantanesulfonyl chloride; |
| Density: | 1.37 g/cm3 |
| Boiling Point: | 323 °C at 760 mmHg |
| Flash Point: | 149.2 °C |
| PSA: | 42.52000 |
| LogP: | 3.60460 |
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Specification
The systematic name of this chemical is Tricyclo[3.3.1.13,7]decane-1-sulfonyl chloride. With the CAS registry number 24053-96-1, it is also named as 1-Adamantanesulfonyl chloride. In addition, its molecular formula is C10H15ClO2S and molecular weight is 234.7429.
Physical properties about the Tricyclo[3.3.1.13,7]decane-1-sulfonyl chloride are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.9; (6)ACD/BCF (pH 7.4): 137.9; (7)ACD/KOC (pH 5.5): 1183.34; (8)ACD/KOC (pH 7.4): 1183.34; (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: 1.565; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 171.2 cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Density: 1.37 g/cm3; (18)Flash Point: 149.2 °C; (19)Enthalpy of Vaporization: 54.24 kJ/mol; (20)Boiling Point: 323 °C at 760 mmHg; (21)Vapour Pressure: 0.000508 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 1-(Prop-2-ene-1-sulfonyl)-adamantane. This reaction needs reagent TiCl4. Meanwhile, it needs solvent CH2Cl2. The reaction time is 4 h with reaction temperature of -78 °C. The yield is about 42 %.
![The Tricyclo[3.3.1.13,7]decane-1-sulfonyl chloride can react with Allyl-trimethyl-silane to get 1-(Prop-2-ene-1-sulfonyl)-adamantane](/UserFilesUpload/Uses of Tricyclo[3_3_1_13,7]decane-1-sulfonyl chloride.png)
You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)C12CC3CC(C1)CC(C2)C3
(2) InChI: InChI=1/C10H15ClO2S/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2 (3) InChIKey: LLZYXOXYBQDLIC-UHFFFAOYAV