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| CAS No.: | 5395-89-1 |
|---|---|
| Name: | 2-methylsulfonylbenzaldehyde |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H8O3S |
| Molecular Weight: | 184.216 |
| Synonyms: | 2-(Methylsulfonyl)benzaldehyde |
| Density: | 1.289 g/cm3 |
| Melting Point: | 98-99 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 385.7 °C at 760 mmHg |
| Flash Point: | 249.7 °C |
| PSA: | 59.59000 |
| LogP: | 1.98340 |
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Specification
The CAS registry number of Benzaldehyde,2-(methylsulfonyl)- is 5395-89-1. It belongs to the product categories of Boron, Nitrile, Thio, & TM-Cpds; Carbonyl Compounds. This chemical's molecular formula is C8H8O3S and molecular weight is 184.2123. What's more, its systematic name is called 2-(Methylsulfonyl)benzaldehyde.
Physical properties about Benzaldehyde,2-(methylsulfonyl)- are: (1)ACD/LogP: -0.08; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 59.59 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 45.16 cm3; (9)Molar Volume: 142.8 cm3; (10)Polarizability: 17.9×10-24 cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Density: 1.289 g/cm3; (13)Flash Point: 249.7 °C; (14)Enthalpy of Vaporization: 63.46 kJ/mol; (15)Boiling Point: 385.7 °C at 760 mmHg; (16)Vapour Pressure: 3.73E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccccc1C=O)C
(2) InChI: InChI=1/C8H8O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-6H,1H3
(3) InChIKey: HFOCAQPWSXBFFN-UHFFFAOYAP