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| CAS No.: | 67475-56-3 |
|---|---|
| Name: | Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI) |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H6ClFO3S |
| Molecular Weight: | 224.64 |
| Synonyms: | Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI);5-fluoro-2-Methoxybenzene-1-sulfonyl chloride;5-fluoro-2-Methoxy- (9CI);2-(Chlorosulphonyl)-4-fluoroanisole |
| Density: | 1.455 g/cm3 |
| Boiling Point: | 309.8 °C at 760 mmHg |
| Flash Point: | 141.2 °C |
| PSA: | 51.75000 |
| LogP: | 2.84260 |
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Specification
The Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI) is an organic compound with the formula C7H6ClFO3S. The systematic name of this chemical is 5-fluoro-2-methoxybenzenesulfonyl chloride and the CAS registry number is 67475-56-3. In addition, the product's category is Sulfonylhalide.
The other characteristics of Benzenesulfonyl chloride, 5-fluoro-2-methoxy- (9CI) can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.12; (6)ACD/BCF (pH 7.4): 39.12; (7)ACD/KOC (pH 5.5): 480.27; (8)ACD/KOC (pH 7.4): 480.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 46.87 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 18.58×10-24 cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 141.2 °C; (20)Enthalpy of Vaporization: 52.86 kJ/mol; (21)Boiling Point: 309.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00114 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:ClS(=O)(=O)c1cc(F)ccc1OC
2. InChI:InChI=1/C7H6ClFO3S/c1-12-6-3-2-5(9)4-7(6)13(8,10)11/h2-4H,1H3
3. InChIKey:LUEBMKPHZDSPFH-UHFFFAOYAA
4. Std. InChI:InChI=1S/C7H6ClFO3S/c1-12-6-3-2-5(9)4-7(6)13(8,10)11/h2-4H,1H3
5. Std. InChIKey:LUEBMKPHZDSPFH-UHFFFAOYSA-N